Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RalGDS complexes.
about
Cooperative binding of DNA and CBFbeta to the Runt domain of the CBFalpha studied via MD simulations.Exploring the role of receptor flexibility in structure-based drug discoverySwissParam: A fast force field generation tool for small organic moleculesMolecular Dynamics of "Fuzzy" Transcriptional Activator-Coactivator InteractionsRole of Water Molecules in Structure and Energetics of Pseudomonas aeruginosa Lectin I Interacting with DisaccharidesHot-spot analysis to dissect the functional protein-protein interface of a tRNA-modifying enzymeThe Amber biomolecular simulation programsPrediction of protein-protein interaction sites in sequences and 3D structures by random forestsComputational reverse-engineering of a spider-venom derived peptide active against Plasmodium falciparum SUB1Molecular dynamics simulation of the complex PBP-2x with drug cefuroxime to explore the drug resistance mechanism of Streptococcus suis R61Molecular determinants of epidermal growth factor binding: a molecular dynamics studyInteraction between trehalose and MTHase from Sulfolobus solfataricus studied by theoretical computation and site-directed mutagenesisInteraction studies of the human and Arabidopsis thaliana Med25-ACID proteins with the herpes simplex virus VP16- and plant-specific Dreb2a transcription factorsComputational design of protein-based inhibitors of Plasmodium vivax subtilisin-like 1 proteaseInsights into the Interactions of Fasciola hepatica Cathepsin L3 with a Substrate and Potential Novel Inhibitors through In Silico ApproachesDistinct OGT-Binding Sites Promote HCF-1 CleavageProbing Difference in Binding Modes of Inhibitors to MDMX by Molecular Dynamics Simulations and Different Free Energy MethodsMolecular Dynamics Assisted Mechanistic Study of Isoniazid-Resistance against Mycobacterium tuberculosis InhAAnti-Hemagglutinin Antibody Derived Lead Peptides for Inhibitors of Influenza Virus BindingMolecular dynamics simulation of tryptophan hydroxylase-1: binding modes and free energy analysis to phenylalanine derivative inhibitorsProtein-Ligand Electrostatic Binding Free Energies from Explicit and Implicit SolvationIn Silico Exploration for Novel Type-I Inhibitors of Tie-2/TEK: The Performance of Different Selection Strategy in Selecting Virtual Screening CandidatesThe RAS-Binding Domain of Human BRAF Protein Serine/Threonine Kinase Exhibits Allosteric Conformational Changes upon Binding HRASCharacterization of domain-peptide interaction interface: prediction of SH3 domain-mediated protein-protein interaction network in yeast by generic structure-based models.Insight into conformational change for 14-3-3σ protein by molecular dynamics simulation.Molecular dynamics guided study of salt bridge length dependence in both fluorinated and non-fluorinated parallel dimeric coiled-coils.Computational studies of H5N1 influenza virus resistance to oseltamivir.Effect of sesamin against cytokine production from influenza type A H1N1-induced peripheral blood mononuclear cells: computational and experimental studies.Helix/coil nucleation: a local response to global demands.Absolute binding free energy calculations: on the accuracy of computational scoring of protein-ligand interactionsExploration of the binding mode of α/β-type small acid soluble proteins (SASPs) with DNA.Molecular modeling to provide insight into the substrate binding and catalytic mechanism of human biliverdin-IXα reductaseEffects of organic solvents and substrate binding on trypsin in acetonitrile and hexane media.Frustration, specific sequence dependence, and nonlinearity in large-amplitude fluctuations of allosteric proteins.Probing DNA clamps with single-molecule force spectroscopy.Comparing aminoglycoside binding sites in bacterial ribosomal RNA and aminoglycoside modifying enzymes.Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set.Thermodynamic selection of steric zipper patterns in the amyloid cross-beta spineA computational study of a recreated G protein-GEF reaction intermediate competent for nucleotide exchange: fate of the Mg ionLimitations of Ab initio predictions of peptide binding to MHC class II molecules
P2860
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P2860
Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RalGDS complexes.
description
2003 nî lūn-bûn
@nan
2003 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Insights into protein-protein ...... -Raf and Ras-RalGDS complexes.
@ast
Insights into protein-protein ...... -Raf and Ras-RalGDS complexes.
@en
type
label
Insights into protein-protein ...... -Raf and Ras-RalGDS complexes.
@ast
Insights into protein-protein ...... -Raf and Ras-RalGDS complexes.
@en
prefLabel
Insights into protein-protein ...... -Raf and Ras-RalGDS complexes.
@ast
Insights into protein-protein ...... -Raf and Ras-RalGDS complexes.
@en
P2093
P1476
Insights into protein-protein ...... -Raf and Ras-RalGDS complexes.
@en
P2093
Christina Kiel
David A Case
Holger Gohlke
P304
P356
10.1016/S0022-2836(03)00610-7
P407
P577
2003-07-01T00:00:00Z