Protein-protein interaction investigated by steered molecular dynamics: the TCR-pMHC complex.
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Large scale characterization of the LC13 TCR and HLA-B8 structural landscape in reaction to 172 altered peptide ligands: a molecular dynamics simulation studySulfamethoxazole induces a switch mechanism in T cell receptors containing TCRVβ20-1, altering pHLA recognitionA comparative approach linking molecular dynamics of altered peptide ligands and MHC with in vivo immune responsesProbing carbohydrate product expulsion from a processive cellulase with multiple absolute binding free energy methods.T-cell epitope prediction and immune complex simulation using molecular dynamics: state of the art and persisting challenges.TCR triggering by pMHC ligands tethered on surfaces via poly(ethylene glycol) depends on polymer length.Optimization of an elastic network augmented coarse grained model to study CCMV capsid deformationEarly relaxation dynamics in the LC 13 T cell receptor in reaction to 172 altered peptide ligands: a molecular dynamics simulation studyCoarse-grained versus atomistic simulations: realistic interaction free energies for real proteins.In silico insights into protein-protein interactions and folding dynamics of the saposin-like domain of Solanum tuberosum aspartic protease.Quantitative Analysis of the Association Angle between T-cell Receptor Vα/Vβ Domains Reveals Important Features for Epitope RecognitionThe Dynamics of the Human Leukocyte Antigen Head Domain Modulates Its Recognition by the T-Cell Receptor.Computational Studies of Molecular Permeation through Connexin26 Channels.Structure-Based, Rational Design of T Cell Receptors.Computer applications for prediction of protein-protein interactions and rational drug design.Current status and future challenges in T-cell receptor/peptide/MHC molecular dynamics simulations.Dissecting DNA-histone interactions in the nucleosome by molecular dynamics simulations of DNA unwrapping.Molecular analysis of the interaction between staphylococcal virulence factor Sbi-IV and complement C3d.Energetic and flexibility properties captured by long molecular dynamics simulations of a membrane-embedded pMHCII-TCR complex.Overcoming dissipation in the calculation of standard binding free energies by ligand extraction.Analyzing machupo virus-receptor binding by molecular dynamics simulationsThe effect of different force applications on the protein-protein complex Barnase-Barstar.Absolute FKBP binding affinities obtained via nonequilibrium unbinding simulationsInsights into the structure of the LC13 TCR/HLA-B8-EBV peptide complex with molecular dynamics simulations.Transport and dielectric properties of water and the influence of coarse-graining: comparing BMW, SPC/E, and TIP3P models.Computational study and peptide inhibitors design for the CDK9 - cyclin T1 complex.Simulation of Reversible Protein-Protein Binding and Calculation of Binding Free Energies Using Perturbed Distance Restraints.The role of sequence in altering the unfolding pathway of an RNA pseudoknot: a steered molecular dynamics study.Impact of interfacial high-density water layer on accurate estimation of adsorption free energy by Jarzynski's equality.Free energy calculations, enhanced by a Gaussian ansatz, for the "chemical work" distribution.Adaptive steered molecular dynamics: validation of the selection criterion and benchmarking energetics in vacuum.Exploring coumarin egress channels in human cytochrome P450 2A6 by random acceleration and steered molecular dynamics simulations.Computing Equilibrium Free Energies Using Non-Equilibrium Molecular DynamicsPhosphorylation promotes binding affinity of Rap-Raf complex by allosteric modulation of switch loop dynamics
P2860
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P2860
Protein-protein interaction investigated by steered molecular dynamics: the TCR-pMHC complex.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
2008年论文
@zh
2008年论文
@zh-cn
name
Protein-protein interaction in ...... ynamics: the TCR-pMHC complex.
@en
Protein-protein interaction in ...... ynamics: the TCR-pMHC complex.
@nl
type
label
Protein-protein interaction in ...... ynamics: the TCR-pMHC complex.
@en
Protein-protein interaction in ...... ynamics: the TCR-pMHC complex.
@nl
prefLabel
Protein-protein interaction in ...... ynamics: the TCR-pMHC complex.
@en
Protein-protein interaction in ...... ynamics: the TCR-pMHC complex.
@nl
P2860
P1433
P1476
Protein-protein interaction in ...... ynamics: the TCR-pMHC complex.
@en
P2093
Michel A Cuendet
Olivier Michielin
P2860
P304
P356
10.1529/BIOPHYSJ.108.131383
P407
P577
2008-07-11T00:00:00Z