Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energies

Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energies

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http://www.wikidata.org/entity/Q57127575
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinitiesEffect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach.On the Dielectric "Constant" of Proteins: Smooth Dielectric Function for Macromolecular Modeling and Its Implementation in DelPhiProtein side chain conformation predictions with an MMGBSA energy function.Computational Study of the Binding Mechanism of Actin-Depolymerizing Factor 1 with Actin in Arabidopsis thalianaOf mice and men: Dissecting the interaction between Listeria monocytogenes Internalin A and E-cadherin.Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation.Comparison of MM/GBSA calculations based on explicit and implicit solvent simulations.Binding Modes of Teixobactin to Lipid II: Molecular Dynamics Study.Can MM/GBSA calculations be sped up by system truncation?A multistep docking and scoring protocol for congeneric series: Implementation on kinase DFG-out type II inhibitors.MM-GBSA and MM-PBSA performance in activity evaluation of AMPA receptor positive allosteric modulators.
P2860

Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energies

Item
http://www.wikidata.org/entity/Q57127575
description
im Februar 2012 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published on 13 February 2012
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в травні 2012
@uk
name
Comparison of end-point contin ...... n-ligand binding free energies
@en
Comparison of end-point contin ...... n-ligand binding free energies
@nl
type
label
Comparison of end-point contin ...... n-ligand binding free energies
@en
Comparison of end-point contin ...... n-ligand binding free energies
@nl
prefLabel
Comparison of end-point contin ...... n-ligand binding free energies
@en
Comparison of end-point contin ...... n-ligand binding free energies
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P921
P356
P1433
P1476
Comparison of end-point contin ...... n-ligand binding free energies
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P921