# positions[].organizations[].parent[].label
Texas A&M Engineering Experiment Station (TEES)

# keywords[]
Networking And Information Technology R&d (nitrd)

# keywords[]
Alzheimer's Disease Including Alzheimer's Disease Related Dementias (ad/adrd)

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
Alzheimer's Disease Including Alzheimer's Disease Related Dementias (ad/adrd)

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
Alzheimer's Disease Including Alzheimer's Disease Related Dementias (ad/adrd)

# keywords[]
3404 Medicinal And Biomolecular Chemistry

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
Alternative Pathway Of Complement Activation

# keywords[]
The Membrane Attack Complex Consisting Of Complement Proteins C5b, C6, C7, C8, And C9(n)

# keywords[]
Reversed Phase High Performance Liquid Chromatography

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
Alzheimer's Disease Including Alzheimer's Disease Related Dementias (ad/adrd)

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
1.1 Normal Biological Development And Functioning

# keywords[]
3404 Medicinal And Biomolecular Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
1.1 Normal Biological Development And Functioning

# educationAndTraining[].organization.label
University of Cyprus - (Nicosia, Cyprus)

# publications[].label
A high-throughput and rapid computational method for screening of RNA post-transcriptional modifications that can be recognized by target proteins.

# publications[].label
Self-Assembling Amyloid Sequences as Scaffolds for Material Design: A Case Study of Building Blocks Inspired From the Adenovirus Fiber Protein

# publications[].label
Molecular Mechanism for Attractant Signaling to DHMA by E.coli Tsr.

# publications[].label
Editor's Highlight: Microbial-Derived 1,4-Dihydroxy-2-naphthoic Acid and Related Compounds as Aryl Hydrocarbon Receptor Agonists/Antagonists: Structure-Activity Relationships and Receptor Modeling.

# publications[].label
Isoflavones as Ah Receptor Agonists in Colon-Derived Cell Lines: Structure-Activity Relationships.

# publications[].label
Conformational analysis of compstatin analogues with molecular dynamics simulations in explicit water

# publications[].label
Activation of COUP-TFI by a Novel Diindolylmethane Derivative.

# publications[].label
CHAPTER 7 Amyloid-Like Peptide Aggregates

# publications[].label
Molecular dynamics in drug design: new generations of compstatin analogs.

# publications[].label
Co-Assembly of Cancer Drugs with Cyclo-HH Peptides: Insights from Simulations and Experiments.

# publications[].label
Self-Assembled Amyloid Peptides with Arg-Gly-Asp (RGD) Motifs As Scaffolds for Tissue Engineering.

# publications[].label
Modification of a Single Atom Affects the Physical Properties of Double Fluorinated Fmoc-Phe Derivatives.

# publications[].label
UV resonance Raman study of TTR(105-115) structural evolution as a function of temperature.

# publications[].label
Computational design of amyloid self-assembling peptides bearing aromatic residues and the cell adhesive motif Arg-Gly-Asp

# publications[].label
Highly Accurate Structure-Based Prediction of HIV-1 Coreceptor Usage Suggests Intermolecular Interactions Driving Tropism.

# publications[].label
O20204: BETAWRAPIN PROTEINS SEQUESTERING AMYLOID PROTEINS INVOLVED IN ALZHEIMER'S DISEASE: UNDERSTANDING THEIR FUNCTION AND DESIGNING NOVEL, IMPROVED BETAWRAPINS AS POTENTIAL THERAPEUTICS

# publications[].label
Self-assembly of phenylalanine oligopeptides: insights from experiments and simulations.

# publications[].label
Enhanced adsorption of per- and polyfluoroalkyl substances (PFAS) by edible, nutrient-amended montmorillonite clays.

# publications[].label
Elucidating a key component of cancer metastasis: CXCL12 (SDF-1) binding to CXCR4.

# publications[].label
UV Resonance Raman Study of TTR(105-115) Structural Evolution as a Function of Temperature

# publications[].label
Interactions between Curcumin Derivatives and Amyloid- Fibrils: Insights from Molecular Dynamics Simulations.

# publications[].label
Self-assembly of an aspartate-rich sequence from the adenovirus fiber shaft: insights from molecular dynamics simulations and experiments.

# publications[].label
Designer Amyloid Cell-Penetrating Peptides for Potential Use as Gene Transfer Vehicles.

# publications[].label
Combining Experimental Isotherms, Minimalistic Simulations, and a Model to Understand and Predict Chemical Adsorption onto Montmorillonite Clays.

# publications[].label
Computational and Experimental Protocols to Study Cyclo-dihistidine Self- and Co-assembly: Minimalistic Bio-assemblies with Enhanced Fluorescence and Drug Encapsulation Properties.

# publications[].label
Structure-Dependent Modulation of Aryl Hydrocarbon Receptor-Mediated Activities by Flavonoids.

# publications[].label
Design of a modified mouse protein with ligand binding properties of its human analog by molecular dynamics simulations: the case of C3 inhibition by compstatin.

# publications[].label
A novel amyloid designable scaffold and potential inhibitor inspired by GAIIG of amyloid beta and the HIV-1 V3 loop.

# publications[].label
Development of a quasi-dynamic pharmacophore model for cyclic peptidic antagonists of complement receptor C5aR

# publications[].label
-Lactoglobulin Enhances Clay and Activated Carbon Binding and Protection Properties for Cadmium and Lead.

# publications[].label
Montmorillonites Can Tightly Bind Glyphosate and Paraquat Reducing Toxin Exposures and Toxicity.

# publications[].label
Insights into the interactions of bisphenol and phthalate compounds with unamended and carnitine-amended montmorillonite clays.

# publications[].label
Green-engineered clay- and carbon-based composite materials for the adsorption of benzene from air.

# publications[].label
Elucidating a key anti-HIV-1 and cancer-associated axis: the structure of CCL5 (Rantes) in complex with CCR5.

# publications[].label
Elucidating the multi-targeted anti-amyloid activity and enhanced islet amyloid polypeptide binding of -wrapins.

# publications[].label
Novel compstatin family peptides inhibit complement activation by drusen-like deposits in human retinal pigmented epithelial cell cultures.

# publications[].label
Uncovering the Binding and Specificity of -Wrapins for Amyloid- and -Synuclein.

# publications[].label
Correction to "Interactions between Curcumin Derivatives and Amyloid- Fibrils: Insights from Molecular Dynamics Simulations".

# publications[].label
Species specificity of the complement inhibitor compstatin investigated by all-atom molecular dynamics simulations.

# publications[].label
EDTA-mimicking amino acid-metal ion coordination for multifunctional packings

# publications[].label
Hydroxylated Chalcones as Aryl Hydrocarbon Receptor Agonists: Structure-Activity Effects.

# publications[].label
Protection of Oxygen-Sensitive Enzymes by Peptide Hydrogel.

# publications[].label
Amyloid-like self-assembly of a dodecapeptide sequence from the adenovirus fiber shaft: Perspectives from molecular dynamics simulations

# publications[].label
Montmorillonite clay-based sorbents decrease the bioavailability of per- and polyfluoroalkyl substances (PFAS) from soil and their translocation to plants.

# publications[].label
Peptide Self-Assembled Nanocarriers for Cancer Drug Delivery.

# publications[].label
Enhanced Fluorescence for Bioassembly by Environment-Switching Doping of Metal Ions.

# publications[].label
Computational design of a -wrapin's N-terminal domain with canonical and non-canonical amino acid modifications mimicking curcumin's proposed inhibitory function.

# publications[].label
A novel protein structure refinement method: Blind predictions during CASP10, and an optimized protocol to maximize performance

# publications[].label
Princeton_TIGRESS 2.0: High refinement consistency and net gains through support vector machines and molecular dynamics in double-blind predictions during the CASP11 experiment.

# publications[].label
Role of gp120 V3 loop charge in HIV-1 coreceptor selectivity

# publications[].label
Amyloid Peptide Scaffolds Coordinate with Alzheimer's Disease Drugs.

# publications[].label
Molecular recognition of CXCR4 by a dual tropic HIV-1 gp120 V3 loop.

# publications[].label
Insights into the mechanism of C5aR inhibition by PMX53 via implicit solvent molecular dynamics simulations and docking.

# publications[].label
Insights into the structure, correlated motions, and electrostatic properties of two HIV-1 gp120 V3 loops.

# publications[].label
UV Resonance Raman Study of TTR(105-115) Structural Evolution as a Function of Temperature (vol 115, pg 4088, 2011)

# publications[].label
Forcefield_NCAA: ab initio charge parameters to aid in the discovery and design of therapeutic proteins and peptides with unnatural amino acids and their application to complement inhibitors of the compstatin family.

# publications[].label
Computational and Experimental Analysis of the Interactions Between C3 and Compstatin Family Peptides

# publications[].label
A Common Epitope in p53 and Tau Protein Aggregates

# publications[].label
Sequence-based identification of amyloidogenic -hairpins reveals a prostatic acid phosphatase fragment promoting semen amyloid formation.

# publications[].label
Exploring Protein-Protein and Protein-Ligand Interactions in the Immune System using Molecular Dynamics and Continuum Electrostatics

# publications[].label
Characterization of epitranscriptome reader proteins experimentally and in silico: Current knowledge and future perspectives beyond the YTH domain.

# publications[].label
Amyloid-like self-assembly of peptide sequences from the adenovirus fiber shaft: insights from molecular dynamics simulations.

# publications[].label
An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12.

# publications[].label
Conformational analysis of compstatin analogues with molecular dynamics simulations in explicit water.

# publications[].label
Understanding the antagonistic mechanism of a de novo designed peptide with experimental HIV fusion inhibition via molecular simulation

# publications[].label
Adsorption and removal of polystyrene nanoplastics from water by green-engineered clays.

# publications[].label
Computational Design of Functional Amyloid Materials with Cesium Binding, Deposition, and Capture Properties.

# publications[].label
Self-Assembled Amyloid Peptides with Arg-Gly-Asp (RGD) Motifs As Scaffolds for Tissue Engineering

# publications[].label
Princeton_TIGRESS: protein geometry refinement using simulations and support vector machines.

# publications[].label
Development and characterization of chlorophyll-amended montmorillonite clays for the adsorption and detoxification of benzene.

# publications[].label
Combination of theoretical and experimental approaches for the design and study of fibril-forming peptides.

# publications[].label
Molecular recognition of CCR5 by an HIV-1 gp120 V3 loop.

# publications[].label
Virtual Screening of Chemical Compounds for Discovery of Complement C3 Ligands.

# publications[].label
Computational evolution of an RNA-binding protein towards enhanced oxidized-RNA binding.

# publications[].label
Exploring Protein-Protein and Protein-Ligand Interactions in the Immune System using Molecular Dynamics and Continuum Electrostatics

# publications[].label
Molecular dynamics simulations give insight into structure-activity relations and species specificity of compstatin-derived peptides

# publications[].label
New compstatin peptides containing N-terminal extensions and non-natural amino acids exhibit potent complement inhibition and improved solubility characteristics.

# publications[].label
Computational high-throughput screening of modified RNA interactions with proteins

# researcherOn[].label
URoL: Epigenetics 1: Collaborative Research: Novel epitransciptomics tools to understand and modulate interactions of modified RNAs with protein readers and erasers

# researcherOn[].awardedBy.label
Directorate for Biological Sciences - (Arlington, Virginia, United States)

# researcherOn[].label
Computational Design of Novel ß-wrapins Targeting and Sequestering Amyloid-ß, a-synuclein and IAPP

# researcherOn[].awardedBy.label
National Institutes of Health - (Bethesda, Maryland, United States)

# researcherOn[].label
Comprehensive Tools and Models for Addressing Exposure to Mixtures During Environmental Emergency-Related Contamination Events

# researcherOn[].awardedBy.label
National Institute of Environmental Health Sciences - (Durham, North Carolina, United States)

# researcherOn[].awardedBy.preferredLabel
DHHS-NIH-National Institute of Environmental Health Sciences

# streetAddress
Texas A&M University; Chemical Engineering; 3122 TAMU

# organizations[]
Texas A&M Engineering Experiment Station (TEES)

# schools[]
Texas A&M Engineering Experiment Station (TEES)