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1
|
Homology modeling and molecular dynamics simulations of Dengue virus NS2B/NS3 protease: insight into molecular interaction.
|
J Mol Recognit
|
2010
|
0.90
|
|
2
|
Binding mode prediction of biologically active compounds from plant Salvia Miltiorrhiza as integrase inhibitor.
|
Bioinformation
|
2013
|
0.89
|
|
3
|
Source of high pathogenicity of an avian influenza virus H5N1: why H5 is better cleaved by furin.
|
Biophys J
|
2008
|
0.86
|
|
4
|
Hybrid quantum mechanical/molecular mechanical molecular dynamics simulations of HIV-1 integrase/inhibitor complexes.
|
Biophys J
|
2007
|
0.77
|
|
5
|
Simultaneous analysis of ultrafast fluorescence decays of FMN binding protein and its mutated proteins by molecular dynamic simulation and electron transfer theory.
|
J Phys Chem B
|
2008
|
0.77
|
|
6
|
Classification of the mechanisms of photoinduced electron transfer from aromatic amino acids to the excited flavins in flavoproteins.
|
Phys Chem Chem Phys
|
2015
|
0.76
|
|
7
|
Three-dimensional quantitative structure: activity relationship studies on diverse structural classes of HIV-1 integrase inhibitors using CoMFA and CoMSIA.
|
Eur J Med Chem
|
2006
|
0.75
|
|
8
|
9,10-Dioxoanthracene-1,4-diyl bis-(4-methyl-benzene-sulfonate).
|
Acta Crystallogr Sect E Struct Rep Online
|
2012
|
0.75
|
|
9
|
Non-equivalent conformations of D-amino acid oxidase dimer from porcine kidney between the two subunits. Molecular dynamics simulation and photoinduced electron transfer.
|
Phys Chem Chem Phys
|
2014
|
0.75
|
|
10
|
Quantum mechanical study of photoinduced charge transfer in FMN binding protein.
|
J Phys Chem B
|
2008
|
0.75
|
|
11
|
Effective discrimination of antimalarial potency of artemisinin compounds based on quantum chemical calculations of their reaction mechanism.
|
Bioorg Med Chem
|
2006
|
0.75
|
|
12
|
Postprocessing of protein-ligand docking poses using linear response MM-PB/SA: application to Wee1 kinase inhibitors.
|
J Chem Inf Model
|
2010
|
0.75
|
|
13
|
Structural basis for the temperature-induced transition of D-amino acid oxidase from pig kidney revealed by molecular dynamic simulation and photo-induced electron transfer.
|
Phys Chem Chem Phys
|
2012
|
0.75
|
|
14
|
Photoinduced electron transfer modeling to simulate flavoprotein fluorescence decay.
|
Methods Mol Biol
|
2014
|
0.75
|
|
15
|
Simultaneous analyses of photoinduced electron transfer in the wild type and four single substitution isomers of the FMN binding protein from Desulfovibrio vulgaris, Miyazaki F.
|
Phys Chem Chem Phys
|
2011
|
0.75
|
|
16
|
Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors.
|
Eur J Med Chem
|
2008
|
0.75
|