Predicting Peptide Binding to MHC Pockets via Molecular Modeling, Implicit Solvation, and Global Optimization

Proteins: Structure, Function and Genetics

Volumn 54, Issue 3, 2004, Pages 534-556

  Schafroth, Heather D ^a   Floudas, Christodoulos A ^a  

^a Princeton University   (United States)

Author keywords

Computational structural biology; HLA DR1; Poisson Boltzmann electrostatics; Relative binding affinity

Indexed keywords

AMINO ACID; HLA DR ANTIGEN; HLA DR1 ANTIGEN; HLA DRB1; HLA-DRB1; ION; PEPTIDE; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BINDING SITE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTATIONAL STRUCTURAL BIOLOGY; CONFORMATION; ELECTRICITY; ENERGY; ENTROPY; GLOBAL OPTIMIZATION; HYDROGEN BOND; HYPOTHESIS; IMPLICIT SOLVATION; MAJOR HISTOCOMPATIBILITY COMPLEX; METABOLISM; MOLECULAR MODEL; POISSON BOLTZMANN ELECTROSTATICS; PREDICTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN BINDING; SOLVATION; SOLVENT ACCESSIBLE AREA; SOLVENT ACCESSIBLE VOLUME; TECHNIQUE; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

AMINO ACIDS; BINDING SITES; ELECTROSTATICS; ENTROPY; HLA-DR ANTIGENS; HYDROGEN BONDING; IONS; MODELS, MOLECULAR; PEPTIDES; PROTEIN BINDING; SOLVENTS; THERMODYNAMICS;

EID: 1042301998     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10608     Document Type: Article

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