Accounting for ligand conformational restriction in calculations of protein-ligand binding affinities.
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The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinitiesAssessing 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.Advances in all atom sampling methods for modeling protein-ligand binding affinitiesVirtual screening using molecular simulations.Natural polymorphisms and unusual mutations in HIV-1 protease with potential antiretroviral resistance: a bioinformatic analysis.Conformational Transitions and Convergence of Absolute Binding Free Energy Calculations.Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse Transcriptase.Recent theoretical and computational advances for modeling protein-ligand binding affinitiesComputational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.QM/MM refinement and analysis of protein bound retinoic acid.Fluorine-Substituted Pyrrolo[2,3- d]Pyrimidine Analogues with Tumor Targeting via Cellular Uptake by Folate Receptor α and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
P2860
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P2860
Accounting for ligand conformational restriction in calculations of protein-ligand binding affinities.
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
Accounting for ligand conforma ...... ein-ligand binding affinities.
@en
Accounting for ligand conforma ...... ein-ligand binding affinities.
@nl
type
label
Accounting for ligand conforma ...... ein-ligand binding affinities.
@en
Accounting for ligand conforma ...... ein-ligand binding affinities.
@nl
prefLabel
Accounting for ligand conforma ...... ein-ligand binding affinities.
@en
Accounting for ligand conforma ...... ein-ligand binding affinities.
@nl
P2093
P2860
P1433
P1476
Accounting for ligand conforma ...... ein-ligand binding affinities.
@en
P2093
Harry A Stern
Min-Sun Park
P2860
P304
P356
10.1016/J.BPJ.2009.11.018
P407
P577
2010-03-01T00:00:00Z