Absolute binding free energy calculations of sparsomycin analogs to the bacterial ribosome.
about
Crystal structure of the deglycating enzyme Amadoriase I in its free form and substrate-bound complexImpact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approachAlchemical free energy methods for drug discovery: progress and challengesComputational analysis of the binding specificity of Gleevec to Abl, c-Kit, Lck, and c-Src tyrosine kinases.Molecular dynamics simulations and drug discoveryLarge scale affinity calculations of cyclodextrin host-guest complexes: Understanding the role of reorganization in the molecular recognition process.Ligand-dependent conformations and dynamics of the serotonin 5-HT(2A) receptor determine its activation and membrane-driven oligomerization propertiesComputational study of Gleevec and G6G reveals molecular determinants of kinase inhibitor selectivity.Advances in all atom sampling methods for modeling protein-ligand binding affinitiesA molecular mechanics approach to modeling protein-ligand interactions: relative binding affinities in congeneric series.Conformational Transitions and Convergence of Absolute Binding Free Energy Calculations.Recent theoretical and computational advances for modeling protein-ligand binding affinitiesCHARMM-GUI Ligand Binder for absolute binding free energy calculations and its applicationExplaining why Gleevec is a specific and potent inhibitor of Abl kinase.Computational studies of molecular machines: the ribosome.Ligand binding to telomeric G-quadruplex DNA investigated by funnel-metadynamics simulations.Protonation and pK changes in protein-ligand binding.Computation of relative binding free energy for an inhibitor and its analogs binding with Erk kinase using thermodynamic integration MD simulation.Application of binding free energy calculations to prediction of binding modes and affinities of MDM2 and MDMX inhibitors.Complex long-distance effects of mutations that confer linezolid resistance in the large ribosomal subunit.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Using the fast fourier transform in binding free energy calculations.Absolute Binding Free Energies between T4 Lysozyme and 141 Small Molecules: Calculations Based on Multiple Rigid Receptor Configurations.Implicit ligand theory for relative binding free energies.
P2860
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P2860
Absolute binding free energy calculations of sparsomycin analogs to the bacterial ribosome.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
2010年论文
@zh
2010年论文
@zh-cn
name
Absolute binding free energy c ...... ogs to the bacterial ribosome.
@en
Absolute binding free energy c ...... ogs to the bacterial ribosome.
@nl
type
label
Absolute binding free energy c ...... ogs to the bacterial ribosome.
@en
Absolute binding free energy c ...... ogs to the bacterial ribosome.
@nl
prefLabel
Absolute binding free energy c ...... ogs to the bacterial ribosome.
@en
Absolute binding free energy c ...... ogs to the bacterial ribosome.
@nl
P356
P1476
Absolute binding free energy c ...... ogs to the bacterial ribosome.
@en
P2093
Benoît Roux
Xiaoxia Ge
P304
P356
10.1021/JP100579Y
P407
P577
2010-07-01T00:00:00Z