# positions[].organizations[].label
Artie Mcferrin Department of Chemical En

# overview
Dr. Mittal's research focuses on biomolecular self-assembly processes with a specialization in protein phase separation and nanoparticle superlattice design.

# keywords[]
3102 Bioinformatics And Computational Biology

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
3102 Bioinformatics And Computational Biology

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
Cyclic AMP Response Element-Binding Protein

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
3102 Bioinformatics And Computational Biology

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
3102 Bioinformatics And Computational Biology

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
3102 Bioinformatics And Computational Biology

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
Protein Nuclear Magnetic Resonance Spectroscopy (nmr)

# keywords[]
Magic Angle Spinning Solid State Nmr Spectroscopy

# keywords[]
Förster Resonance Energy Transfer (fret)

# publications[].label
A predictive coarse-grained model for position-specific effects of post-translational modifications.

# publications[].label
Binary superlattice design by controlling DNA-mediated interactions

# publications[].label
Excess-entropy-based anomalies for a waterlike fluid.

# publications[].label
Experimental and Computational Approaches to Explore the the Mechanisms of Carbon Nanotube Biosensing

# publications[].label
Sequence-specific self-stitching motif of short single-stranded DNA on a single-walled carbon nanotube.

# publications[].label
Erratum: Instability of Thin Liquid Films by Density Variations: A New Mechanism that Mimics Spinodal Dewetting [Phys. Rev. Lett.PRLTAO0031-9007 89, 186101 (2002)]

# publications[].label
Characterizing the free energy landscape of intrinsically disordered proteins by metadynamics simulation and experiments

# publications[].label
An optical nanoreporter of endolysosomal lipid accumulation reveals enduring effects of diet on hepatic macrophages in vivo.

# publications[].publisher
American Association for the Advancement of Science (AAAS)

# publications[].label
Expanding the molecular language of protein liquid-liquid phase separation.

# publications[].label
N-terminal acetylation modestly enhances phase separation and reduces aggregation of the low-complexity domain of RNA-binding protein fused in sarcoma.

# publications[].label
Insights into Molecular Diversity within the FUS/EWS/TAF15 Protein Family: Unraveling Phase Separation of the N-Terminal Low-Complexity Domain from RNA-Binding Protein EWS.

# publications[].label
Sequence dependent co-phase separation of RNA-protein mixtures elucidated using molecular simulations

# publications[].label
Atomic-Resolution In-Cell NMR Analysis of Alpha-Synuclein in Mammalian Cells Reveals Disordered Monomer

# publications[].label
Molecular interactions contributing to FUS SYGQ LC-RGG phase separation and co-partitioning with RNA polymerase II heptads.

# publications[].label
Interplay Between Membrane Composition and Structural Stability of Membrane-Bound hIAPP.

# publications[].label
Crowding Induced Coil-Globule Transitions of Intrinsically Disordered Proteins

# publications[].label
Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents.

# publications[].label
Structure and dynamics of intrinsically disordered proteins from a physics-based model

# publications[].label
Computing Free Volume, Structural Order, and Entropy of Liquids and Glasses

# publications[].label
Sequence-dependent material properties of biomolecular condensates and their relation to dilute phase conformations.

# publications[].label
Specific residues and conformational plasticity define the substrate specificity of short-chain dehydrogenases/reductases.

# publications[].label
Protein Folding Landscapes for Alpha- and Beta-Miniproteins Using All-Atom Simulations with an Optimized Force-Field

# publications[].label
Transformations in the protein folding landscape by interfacial confinement

# publications[].label
Expanding the molecular grammar of polar residues and arginine in FUS prion-like domain phase separation and aggregation.

# publications[].label
Correction to Balanced Protein-Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein Association.

# publications[].label
Quantitative link between single-particle dynamics and static structure of supercooled liquids.

# publications[].label
Improved coarse-grained model for studying sequence dependent phase separation of disordered proteins.

# publications[].label
Folding thermodynamics of -hairpins studied by replica-exchange molecular dynamics simulations.

# publications[].label
Effect of Phosphorylation and O-GlcNAcylation on Proline-Rich Domains of Tau.

# publications[].label
Molecular Simulations of Unfolded and Intrinsically Disordered Proteins

# publications[].label
Hydrophobic residues in disordered and helical regions mediate the oligomerization and phase separation of TDP-43 C-terminal domain

# publications[].label
Diffusive Dynamics of Contact Formation in Disordered Polypeptides.

# publications[].label
Dynamics of Contact Formation in Disordered Polypeptides

# publications[].label
Binding between DNA and carbon nanotubes strongly depends upon sequence and chirality.

# publications[].label
Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of -helix and -hairpin formation.

# publications[].label
Water transport through carbon nanotubes with modified water models

# publications[].label
Computational modeling highlights the role of the disordered Formin Homology 1 domain in profilin-actin transfer.

# publications[].label
A complex network of interdomain interactions underlies the conformational ensemble of monomeric TDP-43 and modulates its phase behavior.

# publications[].label
Structural anomalies of fluids: origins in second and higher coordination shells.

# publications[].label
Water Transport through Nanotubes with Varying Interaction Strength between Tube Wall and Water.

# publications[].label
Identifying sequence perturbations to an intrinsically disordered protein that determine its phase-separation behavior.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
Balanced Protein-Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein Association.

# publications[].label
Conformational Properties of Polymers at Droplet Interfaces as Model Systems for Disordered Proteins.

# publications[].label
A Carbon Nanotube Reporter of miRNA Hybridization Events In Vivo.

# publications[].label
Impact of Hydrophobic Patterning on Conformational Ensemble of Disordered Proteins

# publications[].label
Erratum: Excess-entropy-based anomalies for a waterlike fluid [J. Chem. Phys. 125, 244502 (2006)]

# publications[].label
Biomolecular Condensates: Sequence Determinants of Phase Separation, Microstructural Organization, Enzymatic Activity, and Material Properties.

# publications[].label
Microscopic events in -hairpin folding from alternative unfolded ensembles.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
A carbon nanotube optical reporter maps endolysosomal lipid flux

# publications[].label
TDP-43 -helical structure tunes liquid-liquid phase separation and function.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
Does confining the hard-sphere fluid between hard walls change its  average properties?

# publications[].label
Relation between single-molecule properties and phase behavior of intrinsically disordered proteins.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
Macromolecular crowding effects on protein-protein binding affinity and specificity.

# publications[].label
Effects of molecular-scale density fluctuations and surface roughness on hydrophobic hydration

# publications[].label
Macromolecular crowding effects on coupled folding and binding.

# publications[].label
Role of solvation in pressure-induced helix stabilization.

# publications[].label
Interplay between charge distribution and DNA in shaping HP1 paralog phase separation and localization.

# publications[].label
Protein Composition Determines the Effect of Crowding on the Properties of Disordered Proteins.

# publications[].label
Secondary Structure Prediction for Intrinsically Disordered Proteins

# publications[].label
Interfacial thermodynamics of confined water near molecularly rough surfaces.

# publications[].label
Reversible Kinetic Trapping of FUS Biomolecular Condensates.

# publications[].label
Computational study of trimer self-assembly and fluid phase behavior.

# publications[].label
Data-Driven Models for Predicting Intrinsically Disordered Protein Polymer Physics Directly from Composition or Sequence

# publications[].label
Sequence dependent phase separation of protein-polynucleotide mixtures elucidated using molecular simulations.

# publications[].label
Assembly of three-dimensional binary superlattices from multi-flavored particles.

# publications[].label
Simulations of biomolecular assembly processes at interfaces

# publications[].label
Determinants of Disordered Protein Co-Assembly Into Discrete Condensed Phases.

# publications[].label
Ab Initio Crystallization of Alkanes: Structure and Kinetics of Nuclei Formation

# publications[].label
Protein simulations with an optimized water model: cooperative helix formation and temperature-induced unfolded state collapse.

# publications[].label
Symmetry-Based Crystal Structure Enumeration in Two Dimensions.

# publications[].label
Alteration of Microstructure in Biopolymeric Hydrogels via Compositional Modification of Resilin-Like Polypeptides.

# publications[].label
All-atom models for intrinsically disordered proteins: Structure, dynamics and experimental interpretation

# publications[].label
Instability and Dewetting of Thin Films Induced by Density Variations

# publications[].label
Using Available Volume to Predict Fluid Diffusivity in Random Media

# publications[].label
Instability of thin liquid films by density variations: a new mechanism that mimics spinodal dewetting.

# publications[].label
Macromolecular Crowding Effects on Multiprotein Binding Equilibria: Molecular Simulation and Theory

# publications[].label
Molecular-basis of single-walled carbon nanotube recognition by single-stranded DNA.

# publications[].label
ALS Mutations Disrupt Phase Separation Mediated by -Helical Structure in the TDP-43 Low-Complexity C-Terminal Domain.

# publications[].label
Interplay between charge distribution and DNA in shaping HP1 paralog phase separation and localization.

# publications[].label
Data-driven models for predicting intrinsically disordered protein polymer physics directly from composition or sequence

# publications[].label
Molecular insights into phase separation of HP1 isoforms using coarse-grained and atomistic simulations

# publications[].label
Modelling and simulation of DNA-mediated self-assembly for superlattice design

# publications[].label
Insights into DNA-mediated interparticle interactions from a  coarse-grained model

# publications[].label
Sequence determinants of protein phase behavior from a coarse-grained model

# publications[].label
Pair diffusion, hydrodynamic interactions, and available volume in dense fluids.

# publications[].label
Crowding induced entropy-enthalpy compensation in protein association equilibria.

# publications[].label
A predictive coarse-grained model for position-specific effects of post-translational modifications on disordered protein phase separation

# publications[].label
Evolution of All-Atom Protein Force Fields to Improve Local and Global Properties.

# publications[].label
Relationship between thermodynamics and dynamics of supercooled liquids

# publications[].label
ALS Mutations Disrupt Phase Separation Mediated by alpha-Helical Structure in the TDP-43 Low-Complexity C-Terminal Domain

# publications[].label
Theory and simulation of macromolecular crowding effects on protein  folding stability and kinetics

# publications[].label
Elucidating Steps in Actin Polymerization and Nucleation using a Coarse-Grained Model of Multiprotein Complex Formation

# publications[].label
Coarse-Grained Simulations of Intrinsically Disordered Proteins in the Context of Liquid-Liquid Phase Separation

# publications[].label
How short-range attractions impact the structural order, self-diffusivity, and viscosity of a fluid.

# publications[].label
Computational modeling highlights disordered Formin Homology 1 domains role in profilin-actin transfer

# publications[].label
Identifying Sequence Perturbations to an Intrinsically Disordered Protein that Determine Its Phase Separation Behavior

# publications[].label
Using Energy Landscapes To Predict the Properties of Thin Films

# publications[].label
Bind'NGO: Flexible Docking Model for Multiprotein Complexes with Intrinsically Disordered Segments

# publications[].label
Effect of molecular structure on fluid transport through carbon nanotubes

# publications[].label
Temperature-dependent solvation modulates the dimensions of disordered proteins.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
Tyrosine phosphorylation regulates hnRNPA2 granule protein partitioning & reduces neurodegeneration

# publications[].label
Self-Assembly of DNA-Functionalized Nanoparticles Guided by Binding Kinetics.

# publications[].label
Dependence of protein folding stability and dynamics on the density and composition of macromolecular crowders.

# publications[].label
Insights into DNA-mediated interparticle interactions from a coarse-grained model.

# publications[].label
Quantifying Crowding Effects on Transient Encounter Complex Formation during Protein Binding

# publications[].label
A synergy between site-specific and transient interactions drives the phase separation of a disordered, low-complexity domain.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
Inferring Properties of Disordered Chains From FRET Transfer Efficiencies

# publications[].publisher
American Association for the Advancement of Science (AAAS)

# publications[].label
Effect of Nonionic Surfactant on Association/Dissociation Transition of DNA-Functionalized Colloids.

# publications[].label
Biophysical studies of phase separation integrating experimental and computational methods.

# publications[].label
Molecular simulations indicate marked differences in the structure of amylin mutants, correlated with known aggregation propensity.

# publications[].label
Macromolecular crowding effects on the intrinsically disordered proteins: A simple model reveals complex behavior

# publications[].label
Thermodynamics and kinetics of protein folding under confinement.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
Alpha-Helical Structure in TDP-43 Tunes Liquid-liquid Phase Separation and Cellular Function

# publications[].label
Grand canonical inverse design of multicomponent colloidal crystals.

# publications[].label
Self-assembly of trimer colloids: effect of shape and interaction range.

# publications[].label
Determinants that enable disordered protein assembly into discrete condensed phases.

# publications[].label
Elementary time scales for protein folding: Simulation vs. experiment

# publications[].label
Cofactor-dependent structural transition of SOD1 modulates its ability to undergo liquid-liquid phase separation

# publications[].label
Thermodynamics and Kinetics of Multi-Protein Binding in Crowded Environments

# publications[].label
Elucidating residue level contributions to phase separation using a model polypeptide

# publications[].label
Molecular interactions underlying liquid-liquid phase separation of the FUS low-complexity domain.

# publications[].label
Role of solvation in pressure-induced helix stabilization

# publications[].label
Tackling secondary structure bias in all-atom explicit solvent protein force fields

# publications[].label
Interaction of single-stranded DNA with curved carbon nanotube is much stronger than with flat graphite.

# publications[].label
Folding free energy surfaces of three small proteins under crowding: validation of the postprocessing method by direct simulation.

# publications[].label
Quantitative Theory for Protein-Protein Interactions in a Crowded Environment

# publications[].label
Phosphorylation of the FUS low-complexity domain disrupts phase separation, aggregation, and toxicity.

# publications[].label
Static and dynamic correlations in water at hydrophobic interfaces.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
Cofinement, entropy, and single-particle dynamics of equilibrium  hard-sphere mixtures

# publications[].label
Unraveling the phase separation of EWS low complexity domain using molecular dynamics simulations

# publications[].label
Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone ,  and side-chain (1) and (2) dihedral angles.

# publications[].label
Dynamic and structural characterization of intrinsically disordered peptides via molecular simulations

# publications[].label
Internal Dynamics of the Measles Virus N-TAIL Protein by Photo-Induced Electron Transfer Experiments and Molecular Simulations

# publications[].label
Tackling force-field bias in protein folding simulations: folding of Villin HP35 and Pin WW domains in explicit water.

# publications[].label
Available states and available space: Static properties that predict  dynamics of confined fluids

# publications[].label
A Carbon Nanotube Optical Reporter Maps Endolysosomal Lipid Flux.

# publications[].label
Electrostatic Screening Modulates Analyte Binding and Emission of Carbon Nanotubes

# publications[].label
Deep learning for characterizing the self-assembly of three-dimensional colloidal systems.

# publications[].label
Balance between alpha and beta structures in ab initio protein folding.

# publications[].label
To What Extent Does Surface Hydrophobicity Dictate Peptide Folding and Stability near Surfaces?

# publications[].label
A hybrid, bottom-up, structurally accurate, Go-like coarse-grained protein model.

# publications[].label
Computational Models for Liquid-Liquid Phase Separation of Intrinsically Disordered Proteins

# publications[].label
Molecular Details of Protein Condensates Probed by Microsecond Long Atomistic Simulations.

# publications[].label
Lysines in the RNA Polymerase II C-Terminal Domain Contribute to TAF15 Fibril Recruitment.

# publications[].label
Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
Multiscale Model of the Formin Homology 1 Domain Illustrates its Role in Regulation of Actin Polymerization

# publications[].label
Using available volume to predict fluid diffusivity in random media.

# publications[].label
Correction to Molecular Simulations Indicate Marked Differences in the Structure of Amylin Mutants, Correlated with Known Aggregation Propensity

# publications[].label
Sequence determinants of protein phase behavior from a coarse-grained model.

# publications[].label
Water transport through functionalized nanotubes with tunable hydrophobicity.

# publications[].label
Smoothing of the GB1 hairpin folding landscape by interfacial confinement.

# publications[].label
Anomalous structure and dynamics of the Gaussian-core fluid.

# publications[].label
(Invited) Carbon Nanotube Photoluminescence Solvatochromism in Biomedicine: Spectroscopy, Imaging, and Modulation

# publications[].label
Multiscale simulations reveal molecular dynamics of TDP-43 assemblies

# publications[].label
Hydropathy Patterning Complements Charge Patterning to Describe Conformational Preferences of Disordered Proteins.

# publications[].label
Diffusive dynamics of contact formation in disordered polypeptides

# publications[].label
Molecular interactions underlying the phase separation of HP1: Role of phosphorylation, ligand and nucleic acid binding

# publications[].label
Aliphatic residues contribute significantly to the phase separation of TDP-43 C-terminal domain

# publications[].label
Sequence- and Temperature-Dependent Properties of Unfolded and Disordered Proteins from Atomistic Simulations.

# publications[].label
Layering and position-dependent diffusive dynamics of confined fluids

# publications[].label
Coarse-grained model for simulating protein complexes: Folded vs. disordered proteins

# publications[].label
Using a sequence-specific coarse-grained model for studying protein liquid-liquid phase separation.

# publications[].label
A Novel Coarse-Grained Model to Study Liquid-Liquid Phase Separation of Disordered Proteins

# publications[].label
Thermodynamics predicts how confinement modifies hard-sphere dynamics

# publications[].label
Principles Governing the Phase Separation of Multidomain Proteins.

# publications[].label
Insights into Molecular Diversity within the FET Family: Unraveling Phase Separation of the N-Terminal Low Complexity Domain from RNA-Binding Protein EWS

# publications[].label
Using compressibility factor as a predictor of confined hard-sphere fluid dynamics.

# publications[].label
Molecular features underlying phase separation of protein-nucleic acid condensates revealed by a new coarse-grained DNA model

# publications[].label
Extension of the Einstein molecule method for solid free energy calculation to non-periodic and semi-periodic systems

# publications[].label
Water transport through functionalized nanotubes with tunable  hydrophobicity

# publications[].label
Looking at the Disordered Proteins through the Computational Microscope.

# publications[].label
Structural characteristics of oligomeric DNA strands adsorbed onto single-walled carbon nanotubes.

# publications[].label
Disorder in cholesterol-binding functionality of CRAC peptides: a molecular dynamics study.

# publications[].label
Hydropathy patterning complements charge patterning to describe conformational preferences of disordered proteins

# publications[].label
Protein-protein interactions in a crowded environment.

# publications[].label
The interplay between thermodynamics and kinetics in the self-assembly  of DNA functionalized nanoparticles

# publications[].label
Relationship between thermodynamics and dynamics of supercooled liquids.

# publications[].label
Structural Stability and Binding Strength of a Designed Peptide-Carbon Nanotube Hybrid.

# publications[].label
The living interface between synthetic biology and biomaterial design.

# publications[].label
TDP-43 -helical structure tunes liquid-liquid phase separation and function

# publications[].label
Developing Bonded Potentials for a Coarse-Grained Model of Intrinsically Disordered Proteins.

# publications[].label
How short-range attractions impact the structural order,  self-diffusivity, and viscosity of a fluid

# publications[].label
Dynamics and rheology of polyampholyte condensates

# publications[].label
Mechanistic View of hnRNPA2 Low-Complexity Domain Structure, Interactions, and Phase Separation Altered by Mutation and Arginine Methylation.

# publications[].label
Relationships between self-diffusivity, packing fraction, and excess entropy in simple bulk and confined fluids.

# publications[].label
Amphiphilic proteins coassemble into multiphasic condensates and act as biomolecular surfactants

# publications[].label
Modest protein-crowder attractive interactions can counteract enhancement of protein association by intermolecular excluded volume interactions.

# publications[].label
Anomalous structure and dynamics of the Gaussian-core fluid

# publications[].label
Intrinsically Disordered Protein Dynamics Uncovered through Dynamic Flexibility Index (DFI) Analysis

# publications[].label
Confinement, entropy, and single-particle dynamics of equilibrium hard-sphere mixtures.

# publications[].label
Abstract 2520: Using computer simulations to uncover the molecular grammar of biomolecular phase separation

# publications[].label
Equilibrium and nonequilibrium dynamics of soft sphere fluids.

# publications[].label
Free energy surface of an intrinsically disordered protein: comparison between temperature replica exchange molecular dynamics and bias-exchange metadynamics.

# publications[].label
RNA-binding tunes the conformational plasticity and intradomain stability of TDP-43 tandem RNA recognition motifs

# publications[].label
Does confining the hard-sphere fluid between hard walls change its average properties?

# publications[].label
Sequence Determinants of Protein Phase Separation of the Intrinsically Disordered RGG Domain from LAF-1

# publications[].label
Tyrosine phosphorylation regulates hnRNPA2 granule protein partitioning and reduces neurodegeneration.

# publications[].label
Optimized Force Fields for Simulations of Intrinsically Disordered Proteins

# publications[].label
Physics-based computational and theoretical approaches to intrinsically disordered proteins.

# publications[].label
Zn-dependent structural transition of SOD1 modulates its ability to undergo liquid-liquid phase separation

# publications[].label
Coarse-Grained Models to Study Protein-DNA Interactions and Liquid-Liquid Phase Separation.

# publications[].label
Membrane Cholesterol Association and Structure of Two Leukotoxin Peptides

# publications[].label
A High-Throughput Approach to Phase Separation of Disordered Proteins

# publications[].label
Amphiphilic proteins coassemble into multiphasic condensates and act as biomolecular surfactants.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
Comparing Solution Structures of Amylin and CGRP by Nanosecond Laser-Pump Spectroscopy and Atomistic Simulations

# publications[].label
Simulation methods for liquid-liquid phase separation of disordered proteins.

# publications[].label
Structural ensemble of an intrinsically disordered polypeptide.

# publications[].label
Correlation of Helical Propensity in Amylin Sequences with Known Aggregation Propensity

# publications[].label
Crowding induced entropy-enthalpy compensation in protein association  equilibria

# publications[].label
Layering and position-dependent diffusive dynamics of confined fluids.

# publications[].label
Biomolecular Phase Separation: From Molecular Driving Forces to Macroscopic Properties.

# publications[].label
Structural anomalies of fluids: Origins in second and higher  coordination shells

# publications[].label
Erratum: Relationship between thermodynamics and dynamics of supercooled liquids [J. Chem. Phys. 125, 076102 (2006)]

# publications[].label
Effect of Charge Distribution on the Dynamics of Polyampholytic Disordered Proteins

# publications[].label
Free-energy landscape of the GB1 hairpin in all-atom explicit solvent simulations with different force fields: Similarities and differences.

# publications[].label
Accurate Estimation of Protein-Binding Kinetics using Markov State Models

# publications[].label
Studying RNA Modulated Protein Liquid-Liquid Phase Separation using Coarse-Grained Models

# publications[].label
Accurate atomistic simulations of intrinsically disordered proteins

# publications[].label
How a disordered linker in the Polycomb protein Polyhomeotic tunes phase separation and oligomerization

# publications[].label
Models for liquid-liquid phase separation of disordered proteins

# publications[].label
Role of Strong Localized vs Weak Distributed Interactions in Disordered Protein Phase Separation.

# publications[].label
Abstract LB-222: A nanoscale optical reporter implant for miRNA biomarkers in vivo

# publications[].publisher
American Association for Cancer Research (AACR)

# publications[].label
A Deep Learning Framework Discovers Compositional Order and Self-Assembly Pathways in Binary Colloidal Mixtures.

# publications[].label
Using symmetry to elucidate the importance of stoichiometry in colloidal crystal assembly.

# publications[].label
Designing Molecular Building Blocks for the Self-assembly of Complex Porous Networks.

# publications[].label
Binary Superlattice Design by Controlling DNA-Mediated Interactions.

# publications[].label
Expanding the molecular language of protein liquid-liquid phase separation

# publications[].label
Modest influence of FRET chromophores on the properties of unfolded proteins.

# publications[].label
Molecular interactions underlying the phase separation of HP1: role of phosphorylation, ligandand nucleic acid binding.

# publications[].label
Molecular details of protein condensates probed by microsecond-long atomistic simulations

# publications[].label
Multiscale simulations of TDP-43 full-length uncover molecular determinants of its phase separation beyond N/C-terminal oligomerization

# publications[].label
Challenges in studying the liquid-to-solid phase transitions of proteins using computer simulations.

# publications[].label
Computational Study of Trimer Self-Assembly and Fluid Phase Behavior

# publications[].label
Available states and available space: static properties that predict self-diffusivity of confined fluids

# publications[].label
Quantitative Link between Single-Particle Dynamics and Static Structure of Supercooled Liquids

# publications[].label
Intrinsically Disordered Protein Dynamics Uncovered through Dynamic Flexibility Index (DFI) Analysis

# publications[].label
A coarse-grained DNA model to study protein-DNA interactions and liquid-liquid phase separation.

# publications[].label
Inferring properties of disordered chains from FRET transfer efficiencies.

# publications[].label
Regulating phase behavior of nanoparticle assemblies through engineering of DNA-mediated isotropic interactions.

# publications[].publisher
Proceedings of the National Academy of Sciences

# publications[].label
DNA base dimers are stabilized by hydrogen-bonding interactions including non-Watson-Crick pairing near graphite surfaces.

# publications[].label
Pair diffusion, hydrodynamic interactions, and available volume in dense  fluids

# publications[].label
Role of Strong Localized vs. Weak Distributed Interactions in Disordered Protein Phase Separation

# publications[].label
Folding Kinetics and Unfolded State Dynamics of the GB1 Hairpin from Molecular Simulation.

# publications[].label
Replica Exchange Simulations For Macromolecular Crowding Effects on Multiprotein Binding

# publications[].label
Intra-condensate demixing of TDP-43 inside stress granules generates pathological aggregates.

# publications[].label
Effect of Charge Distribution on the Dynamics of Polyampholytic Disordered Proteins

# publications[].label
Thermodynamics predicts how confinement modifies the dynamics of the equilibrium hard-sphere fluid.

# publications[].label
A Zn-dependent structural transition of SOD1 modulates its ability to undergo phase separation.

# publications[].label
Effect of O-Linked Glycosylation on the Equilibrium Structural Ensemble of Intrinsically Disordered Polypeptides.

# publications[].label
Refining All-Atom Protein Force Fields for Polar-Rich, Prion-like, Low-Complexity Intrinsically Disordered Proteins.

# organizations[]
Artie Mcferrin Department of Chemical En