Solvent interaction energy calculations on molecular dynamics trajectories: increasing the efficiency using systematic frame selection.
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Ponatinib is a pan-BCR-ABL kinase inhibitor: MD simulations and SIE studyIn silico 3D structure modeling and inhibitor binding studies of human male germ cell-associated kinase.Molecular recognition in a diverse set of protein-ligand interactions studied with molecular dynamics simulations and end-point free energy calculations.Variability in docking success rates due to dataset preparationCan We Rely on Computational Predictions To Correctly Identify Ligand Binding Sites on Novel Protein Drug Targets? Assessment of Binding Site Prediction Methods and a Protocol for Validation of Predicted Binding Sites.Efficient estimation of MMGBSA-based BEs for DNA and aromatic furan amidino derivatives.
P2860
Solvent interaction energy calculations on molecular dynamics trajectories: increasing the efficiency using systematic frame selection.
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2011 nî lūn-bûn
@nan
2011 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Solvent interaction energy cal ...... ng systematic frame selection.
@ast
Solvent interaction energy cal ...... ng systematic frame selection.
@en
type
label
Solvent interaction energy cal ...... ng systematic frame selection.
@ast
Solvent interaction energy cal ...... ng systematic frame selection.
@en
prefLabel
Solvent interaction energy cal ...... ng systematic frame selection.
@ast
Solvent interaction energy cal ...... ng systematic frame selection.
@en
P2860
P356
P1476
Solvent interaction energy cal ...... ng systematic frame selection.
@en
P2093
Jared J Thompson
Markus A Lill
P2860
P304
P356
10.1021/CI200191M
P577
2011-09-15T00:00:00Z