Yoshifumi Fukunishi
Orcid: 0000-0002-7264-250X
According to our database1,
Yoshifumi Fukunishi
authored at least 20 papers
between 1997 and 2021.
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Bibliography
2021
Flexibility and Cell Permeability of Cyclic Ras-Inhibitor Peptides Revealed by the Coupled Nosé-Hoover Equation.
J. Chem. Inf. Model., 2021
Generalized-ensemble method study: A helix-mimetic compound inhibits protein-protein interaction by long-range and short-range intermolecular interactions.
J. Comput. Chem., 2021
2020
Molecular Interaction Mechanism of a 14-3-3 Protein with a Phosphorylated Peptide Elucidated by Enhanced Conformational Sampling.
J. Chem. Inf. Model., 2020
2016
Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling.
J. Comput. Chem., 2016
2015
Computational Study of Drug Binding Affinity to Influenza A Neuraminidase Using Smooth Reaction Path Generation (SRPG) Method.
J. Chem. Inf. Model., 2015
Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking.
J. Comput. Chem., 2015
2014
Prediction of Synthetic Accessibility Based on Commercially Available Compound Databases.
J. Chem. Inf. Model., 2014
2011
Selection of In Silico Drug Screening Results for G-Protein-Coupled Receptors by Using Universal Active Probes.
J. Chem. Inf. Model., 2011
2010
Selection of In Silico Drug Screening Results by Using Universal Active Probes (UAPs).
J. Chem. Inf. Model., 2010
2009
In Silico Fragment Screening by Replica Generation (FSRG) Method for Fragment-Based Drug Design.
J. Chem. Inf. Model., 2009
Protein-Ligand Binding Free Energy Calculation by the Smooth Reaction Path Generation (SRPG) Method.
J. Chem. Inf. Model., 2009
2008
Improvement of Protein-Compound Docking Scores by Using Amino-Acid Sequence Similarities of Proteins.
J. Chem. Inf. Model., 2008
Proceedings of the International Conference on Biocomputation, 2008
2006
Noise Reduction Method for Molecular Interaction Energy: Application to in Silico Drug Screening and in Silico Target Protein Screening.
J. Chem. Inf. Model., 2006
An Efficient in Silico Screening Method Based on the Protein-Compound Affinity Matrix and Its Application to the Design of a Focused Library for Cytochrome P450 (CYP) Ligands.
J. Chem. Inf. Model., 2006
A Virtual Active Compound Produced from the Negative Image of a Ligand-binding Pocket, and its Application to in-silico Drug Screening.
J. Comput. Aided Mol. Des., 2006
2004
A hybrid method of molecular dynamics and harmonic dynamics for docking of flexible ligand to flexible receptor.
J. Comput. Chem., 2004
2000
Iterative sequence/secondary structure search for protein homologs: comparison with amino acid sequence alignments and application to fold recognition in genome databases.
Bioinform., 2000
1997
Potential of mean force calculation of solute molecules in water by a modified solvent-accessible surface method.
J. Comput. Chem., 1997