Implicit ligand theory: rigorous binding free energies and thermodynamic expectations from molecular docking.
about
Using the fast fourier transform in binding free energy calculations.Systematic Testing of Belief-Propagation Estimates for Absolute Free Energies in Atomistic Peptides and Proteins.Hamiltonian Monte Carlo with Constrained Molecular Dynamics as Gibbs Sampling.Absolute Binding Free Energies between T4 Lysozyme and 141 Small Molecules: Calculations Based on Multiple Rigid Receptor Configurations.Power transformations improve interpolation of grids for molecular mechanics interaction energies.Implicit ligand theory for relative binding free energies.
P2860
Implicit ligand theory: rigorous binding free energies and thermodynamic expectations from molecular docking.
description
2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
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2012年學術文章
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2012年學術文章
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2012年學術文章
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name
Implicit ligand theory: rigoro ...... ations from molecular docking.
@ast
Implicit ligand theory: rigoro ...... ations from molecular docking.
@en
type
label
Implicit ligand theory: rigoro ...... ations from molecular docking.
@ast
Implicit ligand theory: rigoro ...... ations from molecular docking.
@en
prefLabel
Implicit ligand theory: rigoro ...... ations from molecular docking.
@ast
Implicit ligand theory: rigoro ...... ations from molecular docking.
@en
P2860
P356
P1476
Implicit ligand theory: rigoro ...... tations from molecular docking
@en
P2860
P304
P356
10.1063/1.4751284
P407
P577
2012-09-01T00:00:00Z