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ORCIDYoshifumi Fukunishi
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2020 – today
- 2021
[j19]Junichi Higo
, Hajime Takashima, Yoshifumi Fukunishi, Atsushi Yoshimori:
Generalized-ensemble method study: A helix-mimetic compound inhibits protein-protein interaction by long-range and short-range intermolecular interactions. J. Comput. Chem. 42(14): 956-969 (2021)- [j18]Kei Moritsugu, Koh Takeuchi, Narutoshi Kamiya, Junichi Higo, Isao Yasumatsu, Yoshifumi Fukunishi, Ikuo Fukuda:
Flexibility and Cell Permeability of Cyclic Ras-Inhibitor Peptides Revealed by the Coupled Nosé-Hoover Equation. J. Chem. Inf. Model. 61(4): 1921-1930 (2021) - 2020
- [j17]Junichi Higo, Takeshi Kawabata, Ayumi Kusaka, Kota Kasahara, Narutoshi Kamiya, Ikuo Fukuda, Kentaro Mori, Yutaka Hata, Yoshifumi Fukunishi, Haruki Nakamura:
Molecular Interaction Mechanism of a 14-3-3 Protein with a Phosphorylated Peptide Elucidated by Enhanced Conformational Sampling. J. Chem. Inf. Model. 60(10): 4867-4880 (2020)
2010 – 2019
- 2016
- [j16]Shinji Iida, Tadaaki Mashimo, Takashi Kurosawa, Hironobu Hojo, Hiroya Muta, Yuji Goto, Yoshifumi Fukunishi, Haruki Nakamura, Junichi Higo:
Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling. J. Comput. Chem. 37(31): 2687-2700 (2016) - 2015
- [j15]Junichi Higo, Bhaskar Dasgupta, Tadaaki Mashimo, Kota Kasahara, Yoshifumi Fukunishi, Haruki Nakamura:
Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking. J. Comput. Chem. 36(20): 1489-1501 (2015) - [j14]Hung Nguyen, Tien Tran, Yoshifumi Fukunishi, Junichi Higo, Haruki Nakamura, Ly Le:
Computational Study of Drug Binding Affinity to Influenza A Neuraminidase Using Smooth Reaction Path Generation (SRPG) Method. J. Chem. Inf. Model. 55(9): 1936-1943 (2015) - 2014
- [j13]Yoshifumi Fukunishi, Takashi Kurosawa, Yoshiaki Mikami, Haruki Nakamura:
Prediction of Synthetic Accessibility Based on Commercially Available Compound Databases. J. Chem. Inf. Model. 54(12): 3259-3267 (2014) - 2011
- [j12]Yoshifumi Fukunishi, Haruki Nakamura:
Definition of Drug-Likeness for Compound Affinity. J. Chem. Inf. Model. 51(5): 1012-1016 (2011) - [j11]Mitsuhito Wada, Eiji Kanamori, Haruki Nakamura, Yoshifumi Fukunishi:
Selection of In Silico Drug Screening Results for G-Protein-Coupled Receptors by Using Universal Active Probes. J. Chem. Inf. Model. 51(9): 2398-2407 (2011) - 2010
- [j10]Yoshifumi Fukunishi, Kazuki Ohno, Masaya Orita, Haruki Nakamura:
Selection of In Silico Drug Screening Results by Using Universal Active Probes (UAPs). J. Chem. Inf. Model. 50(7): 1233-1240 (2010)
2000 – 2009
- 2009
- [j9]Yoshifumi Fukunishi, Tadaaki Mashimo, Masaya Orita, Kazuki Ohno, Haruki Nakamura:
In Silico Fragment Screening by Replica Generation (FSRG) Method for Fragment-Based Drug Design. J. Chem. Inf. Model. 49(4): 925-933 (2009) - [j8]Yoshifumi Fukunishi, Daisuke Mitomo, Haruki Nakamura:
Protein-Ligand Binding Free Energy Calculation by the Smooth Reaction Path Generation (SRPG) Method. J. Chem. Inf. Model. 49(8): 1944-1951 (2009) - 2008
- [j7]Yoshifumi Fukunishi, Haruki Nakamura:
Improvement of Protein-Compound Docking Scores by Using Amino-Acid Sequence Similarities of Proteins. J. Chem. Inf. Model. 48(1): 148-156 (2008) - [c1]Yoshifumi Fukunishi:
In Silico Drug Screening Based on a Protein-Compound Affinity Matrix. BIOTECHNO 2008: 53-58 - 2006
- [j6]Yoshifumi Fukunishi, Satoru Kubota, Chisato Kanai, Haruki Nakamura:
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. 20(4): 237-248 (2006) - [j5]Yoshifumi Fukunishi, Satoru Kubota, Haruki Nakamura:
Noise Reduction Method for Molecular Interaction Energy: Application to in Silico Drug Screening and in Silico Target Protein Screening. J. Chem. Inf. Model. 46(5): 2071-2084 (2006) - [j4]Yoshifumi Fukunishi, Shinichi Hojo, Haruki Nakamura:
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. 46(6): 2610-2622 (2006) - 2004
- [j3]Rie Tatsumi, Yoshifumi Fukunishi, Haruki Nakamura:
A hybrid method of molecular dynamics and harmonic dynamics for docking of flexible ligand to flexible receptor. J. Comput. Chem. 25(16): 1995-2005 (2004) - 2000
- [j2]Anders Wallqvist, Yoshifumi Fukunishi, Lynne Reed Murphy, Addi Fadel, Ronald M. Levy:
Iterative sequence/secondary structure search for protein homologs: comparison with amino acid sequence alignments and application to fold recognition in genome databases. Bioinform. 16(11): 988-1002 (2000)
1990 – 1999
- 1997
- [j1]Yoshifumi Fukunishi, Makoto Suzuki:
Potential of mean force calculation of solute molecules in water by a modified solvent-accessible surface method. J. Comput. Chem. 18(13): 1656-1663 (1997)
Coauthor Index
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