CHARMM-GUI Ligand Binder for absolute binding free energy calculations and its application
about
Association between PARP-1 V762A polymorphism and breast cancer susceptibility in Saudi population.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.Making biomolecular simulations accessible in the post-Nobel Prize era.CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues.The selectivity of the Na(+)/K(+)-pump is controlled by binding site protonation and self-correcting occlusion.Attach-Pull-Release Calculations of Ligand Binding and Conformational Changes on the First BRD4 Bromodomain.CHARMM-GUI 10 years for biomolecular modeling and simulation.Grcarma: A fully automated task-oriented interface for the analysis of molecular dynamics trajectories.II. Dissociation free energies in drug-receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands.Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge.CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules.BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations.
P2860
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P2860
CHARMM-GUI Ligand Binder for absolute binding free energy calculations and its application
description
2012 nî lūn-bûn
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2012年の論文
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2012年論文
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2012年論文
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2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
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2012年论文
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name
CHARMM-GUI Ligand Binder for a ...... lculations and its application
@ast
CHARMM-GUI Ligand Binder for a ...... lculations and its application
@en
type
label
CHARMM-GUI Ligand Binder for a ...... lculations and its application
@ast
CHARMM-GUI Ligand Binder for a ...... lculations and its application
@en
prefLabel
CHARMM-GUI Ligand Binder for a ...... lculations and its application
@ast
CHARMM-GUI Ligand Binder for a ...... lculations and its application
@en
P2093
P2860
P356
P1476
CHARMM-GUI Ligand Binder for a ...... lculations and its application
@en
P2093
Benoît Roux
Hui Sun Lee
Sunhwan Jo
P2860
P304
P356
10.1021/CI300505N
P50
P577
2012-12-20T00:00:00Z