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Yoshifumi Fukunishi

Showing results (1-10 of 87) with videos related to

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Expert Opinion on Drug Metabolism & Toxicology|May 15, 2010
Structural ensemble in computational drug screeningYoshifumi Fukunishi
Current Topics in Medicinal Chemistry|March 27, 2010
Post processing of protein-compound docking for fragment-based drug discovery (FBDD): in-silico structure-based drug screening and ligand-binding pose predictionYoshifumi Fukunishi
Combinatorial Chemistry & High Throughput Screening|May 16, 2009
Structure-based drug screening and ligand-based drug screening with machine learningYoshifumi Fukunishi
BBA Advances|July 8, 2021
Asymmetric dynamics of dimeric SARS-CoV-2 and SARS-CoV main proteases in an apo form: Molecular dynamics study on fluctuations of active site, catalytic dyad, and hydration waterShinji Iida, Yoshifumi Fukunishi
Journal of Chemical Information and Modeling|April 29, 2011
Definition of drug-likeness for compound affinityYoshifumi Fukunishi, Haruki Nakamura
Journal of Chemical Information and Modeling|January 2, 2008
Improvement of protein-compound docking scores by using amino-acid sequence similarities of proteinsYoshifumi Fukunishi, Haruki Nakamura
Journal of Molecular Graphics & Modelling|December 3, 2008
A new method for in-silico drug screening and similarity search using molecular dynamics maximum volume overlap (MD-MVO) methodYoshifumi Fukunishi, Haruki Nakamura
Journal of Molecular Graphics & Modelling|August 19, 2007
Prediction of protein-ligand complex structure by docking software guided by other complex structuresYoshifumi Fukunishi, Haruki Nakamura
Pharmaceuticals (Basel, Switzerland)|November 27, 2013
Improved estimation of protein-ligand binding free energy by using the ligand-entropy and mobility of water moleculesYoshifumi Fukunishi, Haruki Nakamura
Pharmaceuticals (Basel, Switzerland)|November 28, 2013
Statistical estimation of the protein-ligand binding free energy based on direct protein-ligand interaction obtained by molecular dynamics simulationYoshifumi Fukunishi, Haruki Nakamura
Pageof 9

Showing results (1-10 of 87) with videos related to

Sort By:
Pageof 9
Expert Opinion on Drug Metabolism & Toxicology|May 15, 2010
Structural ensemble in computational drug screeningYoshifumi Fukunishi
Current Topics in Medicinal Chemistry|March 27, 2010
Post processing of protein-compound docking for fragment-based drug discovery (FBDD): in-silico structure-based drug screening and ligand-binding pose predictionYoshifumi Fukunishi
Combinatorial Chemistry & High Throughput Screening|May 16, 2009
Structure-based drug screening and ligand-based drug screening with machine learningYoshifumi Fukunishi
BBA Advances|July 8, 2021
Asymmetric dynamics of dimeric SARS-CoV-2 and SARS-CoV main proteases in an apo form: Molecular dynamics study on fluctuations of active site, catalytic dyad, and hydration waterShinji Iida, Yoshifumi Fukunishi
Journal of Chemical Information and Modeling|April 29, 2011
Definition of drug-likeness for compound affinityYoshifumi Fukunishi, Haruki Nakamura
Journal of Chemical Information and Modeling|January 2, 2008
Improvement of protein-compound docking scores by using amino-acid sequence similarities of proteinsYoshifumi Fukunishi, Haruki Nakamura
Journal of Molecular Graphics & Modelling|December 3, 2008
A new method for in-silico drug screening and similarity search using molecular dynamics maximum volume overlap (MD-MVO) methodYoshifumi Fukunishi, Haruki Nakamura
Journal of Molecular Graphics & Modelling|August 19, 2007
Prediction of protein-ligand complex structure by docking software guided by other complex structuresYoshifumi Fukunishi, Haruki Nakamura
Pharmaceuticals (Basel, Switzerland)|November 27, 2013
Improved estimation of protein-ligand binding free energy by using the ligand-entropy and mobility of water moleculesYoshifumi Fukunishi, Haruki Nakamura
Pharmaceuticals (Basel, Switzerland)|November 28, 2013
Statistical estimation of the protein-ligand binding free energy based on direct protein-ligand interaction obtained by molecular dynamics simulationYoshifumi Fukunishi, Haruki Nakamura
Pageof 9