Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse Transcriptase.
about
Investigating the mutation resistance of nonnucleoside inhibitors of HIV-RT using multiple microsecond atomistic simulations.Parameterization of an effective potential for protein-ligand binding from host-guest affinity data.Large scale affinity calculations of cyclodextrin host-guest complexes: Understanding the role of reorganization in the molecular recognition process.Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge.Binding Energy Distribution Analysis Method: Hamiltonian Replica Exchange with Torsional Flattening for Binding Mode Prediction and Binding Free Energy EstimationFree Energy-Based Virtual Screening and Optimization of RNase H Inhibitors of HIV-1 Reverse Transcriptase.BEDAM binding free energy predictions for the SAMPL4 octa-acid host challenge.A unique binding mode of the eukaryotic translation initiation factor 4E for guiding the design of novel peptide inhibitors.A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge.
P2860
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P2860
Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse Transcriptase.
description
2012 nî lūn-bûn
@nan
2012年の論文
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2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
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2012年论文
@zh-cn
name
Role of Ligand Reorganization ...... to HIV Reverse Transcriptase.
@ast
Role of Ligand Reorganization ...... to HIV Reverse Transcriptase.
@en
type
label
Role of Ligand Reorganization ...... to HIV Reverse Transcriptase.
@ast
Role of Ligand Reorganization ...... to HIV Reverse Transcriptase.
@en
prefLabel
Role of Ligand Reorganization ...... to HIV Reverse Transcriptase.
@ast
Role of Ligand Reorganization ...... to HIV Reverse Transcriptase.
@en
P2860
P356
P1476
Role of Ligand Reorganization ...... to HIV Reverse Transcriptase.
@en
P2860
P356
10.4236/CMB.2012.21002
P577
2012-03-01T00:00:00Z