Characterization of biaryl torsional energetics and its treatment in OPLS all-atom force fields
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Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl GroupMolecular dynamics and Monte Carlo simulations for protein-ligand binding and inhibitor design.Improved Peptide and Protein Torsional Energetics with the OPLSAA Force Field.Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density PartitioningAccurate calculation of the absolute free energy of binding for drug molecules.Surface Reconstructions in Organic Crystals: Simulations of the Effect of Temperature and Defectivity on Bulk and (001) Surfaces of 2,2':6',2″-Ternaphthalene.General van der Waals potential for common organic molecules.Folding propensity of anoplin: A molecular dynamics study of the native peptide and four mutated isoforms.Poly[n]catenanes: Synthesis of molecular interlocked chains.Improved Description of Sulfur Charge Anisotropy in OPLS Force Fields: Model Development and Parameterization.Exploring what prompts ITIC to become a superior acceptor in organic solar cell by combining molecular dynamics simulation with quantum chemistry calculation.Systematic Study of Effects of Structural Modifications on the Aqueous Solubility of Drug-like Molecules.Rapid assessment of conformational preferences in biaryl and aryl carbonyl fragments.An efficient continuous flow approach to furnish furan-based biaryls
P2860
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P2860
Characterization of biaryl torsional energetics and its treatment in OPLS all-atom force fields
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Characterization of biaryl tor ...... in OPLS all-atom force fields
@en
type
label
Characterization of biaryl tor ...... in OPLS all-atom force fields
@en
prefLabel
Characterization of biaryl tor ...... in OPLS all-atom force fields
@en
P2093
P2860
P356
P1476
Characterization of biaryl tor ...... in OPLS all-atom force fields
@en
P2093
Julian Tirado-Rives
Markus K Dahlgren
Patric Schyman
P2860
P304
P356
10.1021/CI4001597
P577
2013-05-13T00:00:00Z