Yoshifumi Fukunishi

20 papers Journal 19Unranked 1

Year	Rank	Type	Title / Venue / Authors
2021	J	`jnl`	Flexibility and Cell Permeability of Cyclic Ras-Inhibitor Peptides Revealed by the Coupled Nosé-Hoover Equation. J. Chem. Inf. Model. Kei Moritsugu, Koh Takeuchi, Narutoshi Kamiya, Junichi Higo, Isao Yasumatsu, Yoshifumi Fukunishi, Ikuo Fukuda
2021	J	`jnl`	Generalized-ensemble method study: A helix-mimetic compound inhibits protein-protein interaction by long-range and short-range intermolecular interactions. J. Comput. Chem. Junichi Higo, Hajime Takashima, Yoshifumi Fukunishi, Atsushi Yoshimori
2020	J	`jnl`	Molecular Interaction Mechanism of a 14-3-3 Protein with a Phosphorylated Peptide Elucidated by Enhanced Conformational Sampling. J. Chem. Inf. Model. Junichi Higo, Takeshi Kawabata, Ayumi Kusaka, Kota Kasahara, Narutoshi Kamiya, Ikuo Fukuda, Kentaro Mori, Yutaka Hata, Yoshifumi Fukunishi, Haruki Nakamura
2016	J	`jnl`	Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling. J. Comput. Chem. Shinji Iida, Tadaaki Mashimo, Takashi Kurosawa, Hironobu Hojo, Hiroya Muta, Yuji Goto, Yoshifumi Fukunishi, Haruki Nakamura, Junichi Higo
2015	J	`jnl`	Computational Study of Drug Binding Affinity to Influenza A Neuraminidase Using Smooth Reaction Path Generation (SRPG) Method. J. Chem. Inf. Model. Hung Nguyen, Tien Tran, Yoshifumi Fukunishi, Junichi Higo, Haruki Nakamura, Ly Le
2015	J	`jnl`	Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking. J. Comput. Chem. Junichi Higo, Bhaskar DasGupta, Tadaaki Mashimo, Kota Kasahara, Yoshifumi Fukunishi, Haruki Nakamura
2014	J	`jnl`	Prediction of Synthetic Accessibility Based on Commercially Available Compound Databases. J. Chem. Inf. Model. Yoshifumi Fukunishi, Takashi Kurosawa, Yoshiaki Mikami, Haruki Nakamura
2011	J	`jnl`	Definition of Drug-Likeness for Compound Affinity. J. Chem. Inf. Model. Yoshifumi Fukunishi, Haruki Nakamura
2011	J	`jnl`	Selection of In Silico Drug Screening Results for G-Protein-Coupled Receptors by Using Universal Active Probes. J. Chem. Inf. Model. Mitsuhito Wada, Eiji Kanamori, Haruki Nakamura, Yoshifumi Fukunishi
2010	J	`jnl`	Selection of In Silico Drug Screening Results by Using Universal Active Probes (UAPs). J. Chem. Inf. Model. Yoshifumi Fukunishi, Kazuki Ohno, Masaya Orita, Haruki Nakamura
2009	J	`jnl`	In Silico Fragment Screening by Replica Generation (FSRG) Method for Fragment-Based Drug Design. J. Chem. Inf. Model. Yoshifumi Fukunishi, Tadaaki Mashimo, Masaya Orita, Kazuki Ohno, Haruki Nakamura
2009	J	`jnl`	Protein-Ligand Binding Free Energy Calculation by the Smooth Reaction Path Generation (SRPG) Method. J. Chem. Inf. Model. Yoshifumi Fukunishi, Daisuke Mitomo, Haruki Nakamura
2008	J	`jnl`	Improvement of Protein-Compound Docking Scores by Using Amino-Acid Sequence Similarities of Proteins. J. Chem. Inf. Model. Yoshifumi Fukunishi, Haruki Nakamura
2008	—	`conf`	In Silico Drug Screening Based on a Protein-Compound Affinity Matrix. BIOTECHNO Yoshifumi Fukunishi
2006	J	`jnl`	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. Yoshifumi Fukunishi, Satoru Kubota, Chisato Kanai, Haruki Nakamura
2006	J	`jnl`	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. Yoshifumi Fukunishi, Shinichi Hojo, Haruki Nakamura
2006	J	`jnl`	Noise Reduction Method for Molecular Interaction Energy: Application to in Silico Drug Screening and in Silico Target Protein Screening. J. Chem. Inf. Model. Yoshifumi Fukunishi, Satoru Kubota, Haruki Nakamura
2004	J	`jnl`	A hybrid method of molecular dynamics and harmonic dynamics for docking of flexible ligand to flexible receptor. J. Comput. Chem. Rie Tatsumi, Yoshifumi Fukunishi, Haruki Nakamura
2000	J	`jnl`	Iterative sequence/secondary structure search for protein homologs: comparison with amino acid sequence alignments and application to fold recognition in genome databases. Bioinform. Anders Wallqvist, Yoshifumi Fukunishi, Lynne Reed Murphy, Addi Fadel, Ronald M. Levy
1997	J	`jnl`	Potential of mean force calculation of solute molecules in water by a modified solvent-accessible surface method. J. Comput. Chem. Yoshifumi Fukunishi, Makoto Suzuki