Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.
about
Enthalpy-entropy compensation and cooperativity as thermodynamic epiphenomena of structural flexibility in ligand-receptor interactionsCoarse-grained versus atomistic simulations: realistic interaction free energies for real proteins.HADDOCK(2P2I): a biophysical model for predicting the binding affinity of protein-protein interaction inhibitors.Structure-based design of small-molecule protein-protein interaction modulators: the story so far.Detection and characterization of nonspecific, sparsely populated binding modes in the early stages of complexation.Rational prediction with molecular dynamics for hit identificationSpecific and non-specific protein association in solution: computation of solvent effects and prediction of first-encounter modes for efficient configurational bias Monte Carlo simulations.The role of molecular simulations in the development of inhibitors of amyloid β-peptide aggregation for the treatment of Alzheimer's diseaseUse of zebrafish embryos for small molecule screening related to cancer.On the binding affinity of macromolecular interactions: daring to ask why proteins interact.Role of computer-aided drug design in modern drug discovery.Receptor-ligand molecular docking.In silico structural characterization of protein targets for drug development against Trypanosoma cruzi.A generalized framework for computational design and mutational scanning of T-cell receptor binding interfaces.The Movable Type Method Applied to Protein-Ligand BindingMultiple binding modes for palmitate to barley lipid transfer protein facilitated by the presence of proline 12.Biomacromolecular quantitative structure-activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein-protein binding affinity.Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and ChallengesPhosphorylation promotes binding affinity of Rap-Raf complex by allosteric modulation of switch loop dynamics
P2860
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P2860
Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.
description
2011 nî lūn-bûn
@nan
2011 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Flexibility and binding affini ...... rent computational approaches.
@ast
Flexibility and binding affini ...... rent computational approaches.
@en
type
label
Flexibility and binding affini ...... rent computational approaches.
@ast
Flexibility and binding affini ...... rent computational approaches.
@en
prefLabel
Flexibility and binding affini ...... rent computational approaches.
@ast
Flexibility and binding affini ...... rent computational approaches.
@en
P2860
P356
P1476
Flexibility and binding affini ...... rrent computational approaches
@en
P2093
Philippe Derreumaux
P2860
P356
10.1098/RSIF.2011.0584
P50
P577
2011-10-12T00:00:00Z