A "solvated rotamer" approach to modeling water-mediated hydrogen bonds at protein-protein interfaces.
about
Advances in Homology Protein Structure ModelingPrediction of water and metal binding sites and their affinities by using the Fold-X force field.Automated de novo prediction of native-like RNA tertiary structuresStructural coupling between FKBP12 and buried waterRationalization and Design of the Complementarity Determining Region Sequences in an Antibody-Antigen Recognition InterfaceProtein design using continuous rotamersBound water at protein-protein interfaces: partners, roles and hydrophobic bubbles as a conserved motifA simple model of backbone flexibility improves modeling of side-chain conformational variabilityStructure of the ordered hydration of amino acids in proteins: analysis of crystal structures.Fine grained sampling of residue characteristics using molecular dynamics simulation.Role of conformational sampling in computing mutation-induced changes in protein structure and stabilityMotif-directed flexible backbone design of functional interactions.Computational alanine scanning with linear scaling semiempirical quantum mechanical methods.Improved modeling of side-chain--base interactions and plasticity in protein--DNA interface designProtein-protein interaction site predictions with three-dimensional probability distributions of interacting atoms on protein surfaces.Structure-based modeling of protein: DNA specificity.A solvated ligand rotamer approach and its application in computational protein design.Structure-based predictions broadly link transcription factor mutations to gene expression changes in cancers.Adapting Poisson-Boltzmann to the self-consistent mean field theory: application to protein side-chain modeling.Systematic placement of structural water molecules for improved scoring of protein-ligand interactionsDecoding transcriptional regulatory interactionsThe power of hard-sphere models: explaining side-chain dihedral angle distributions of Thr and Val.Two-dimensional spectroscopy at infrared and optical frequencies.Blind prediction of interfacial water positions in CAPRIComputer-aided antibody design.Progress in computational protein design.WatAA: Atlas of Protein Hydration. Exploring synergies between data mining and ab initio calculations.Prediction and design of macromolecular structures and interactions.Protein-solvent interactionsWater at biomolecular binding interfaces.Challenges in the computational design of proteinsComputational design of protein-ligand interfaces: potential in therapeutic development.Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin.IFACEwat: the interfacial water-implemented re-ranking algorithm to improve the discrimination of near native structures for protein rigid docking.A generalized framework for computational design and mutational scanning of T-cell receptor binding interfaces.Empirical estimation of local dielectric constants: Toward atomistic design of collagen mimetic peptides.Probing the role of interfacial waters in protein-DNA recognition using a hybrid implicit/explicit solvation model.New algorithms and an in silico benchmark for computational enzyme design.Development of a rotamer library for use in beta-peptide foldamer computational design.Hydration of protein-RNA recognition sites.
P2860
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P2860
A "solvated rotamer" approach to modeling water-mediated hydrogen bonds at protein-protein interfaces.
description
2005 nî lūn-bûn
@nan
2005 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի մարտին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
A "solvated rotamer" approach ...... at protein-protein interfaces.
@ast
A "solvated rotamer" approach ...... at protein-protein interfaces.
@en
type
label
A "solvated rotamer" approach ...... at protein-protein interfaces.
@ast
A "solvated rotamer" approach ...... at protein-protein interfaces.
@en
prefLabel
A "solvated rotamer" approach ...... at protein-protein interfaces.
@ast
A "solvated rotamer" approach ...... at protein-protein interfaces.
@en
P50
P356
P1433
P1476
A "solvated rotamer" approach ...... at protein-protein interfaces.
@en
P2093
P304
P356
10.1002/PROT.20347
P407
P577
2005-03-01T00:00:00Z