Takatsugu Hirokawa

Publication Activity (10 Years)

Years Active: 1998-2024
Publications (10 Years): 5

Top Topics

Virtual Screening

Molecular Dynamics

Secondary Structure

Top Venues

J. Chem. Inf. Model.

Publications

Genki Kudo, Takumi Hirao, Ryunosuke Yoshino, Yasuteru Shigeta, Takatsugu Hirokawa
Site Identification and Next Choice Protocol for Hit-to-Lead Optimization. J. Chem. Inf. Model. 64 (11) (2024)
Genki Kudo, Takumi Hirao, Ryunosuke Yoshino, Yasuteru Shigeta, Takatsugu Hirokawa
Pocket to concavity: a tool for the refinement of protein-ligand binding site shape from alpha spheres. Bioinform. 39 (4) (2023)
Genki Kudo, Keisuke Yanagisawa, Ryunosuke Yoshino, Takatsugu Hirokawa
AAp-MSMD: Amino Acid Preference Mapping on Protein-Protein Interaction Surfaces Using Mixed-Solvent Molecular Dynamics. J. Chem. Inf. Model. 63 (24) (2023)
Chie Motono, Shunsuke Yanagida, Miwa Sato, Takatsugu Hirokawa
MDContactCom: a tool to identify differences of protein molecular dynamics from two MD simulation trajectories in terms of interresidue contacts. Bioinform. 38 (1) (2021)
Mitsugu Araki, Narutoshi Kamiya, Miwa Sato, Masahiko Nakatsui, Takatsugu Hirokawa, Yasushi Okuno
The Effect of Conformational Flexibility on Binding Free Energy Estimation between Kinases and Their Inhibitors. J. Chem. Inf. Model. 56 (12) (2016)
Kana Shimizu, Koji Nuida, Hiromi Arai, Shigeo Mitsunari, Nuttapong Attrapadung, Michiaki Hamada, Koji Tsuda, Takatsugu Hirokawa, Jun Sakuma, Goichiro Hanaoka, Kiyoshi Asai
Privacy-preserving search for chemical compound databases. BMC Bioinform. 16 (S18) (2015)
Satoshi Yamasaki, Takatsugu Hirokawa, Kiyoshi Asai, Kazuhiko Fukui
Tertiary Structure Prediction of RNA-RNA Complexes Using a Secondary Structure and Fragment-Based Method. J. Chem. Inf. Model. 54 (2) (2014)
Miwa Sato, Takatsugu Hirokawa
Extended Template-Based Modeling and Evaluation Method Using Consensus of Binding Mode of GPCRs for Virtual Screening. J. Chem. Inf. Model. 54 (11) (2014)
Shigeru Saito, Takatsugu Hirokawa, Katsuhisa Horimoto
Discovery of Chemical Compound Groups with Common Structures by a Network Analysis Approach (Affinity Prediction Method). J. Chem. Inf. Model. 51 (1) (2011)
Seiji Hitaoka, Hiroshi Matoba, Masataka Harada, Tatsusada Yoshida, Daisuke Tsuji, Takatsugu Hirokawa, Kohji Itoh, Hiroshi Chuman
Correlation Analyses on Binding Affinity of Sialic Acid Analogues and Anti-Influenza Drugs with Human Neuraminidase Using ab Initio MO Calculations on Their Complex Structures - LERE-QSAR Analysis (IV). J. Chem. Inf. Model. 51 (10) (2011)
Nobuyuki Uchikoga, Takatsugu Hirokawa
Analysis of protein-protein docking decoys using interaction fingerprints: application to the reconstruction of CaM-ligand complexes. BMC Bioinform. 11 (2010)
Yukimitsu Yabuki, Takahiko Muramatsu, Takatsugu Hirokawa, Hidehito Mukai, Makiko Suwa
GRIFFIN: a system for predicting GPCR-G-protein coupling selectivity using a support vector machine and a hidden Markov model. Nucleic Acids Res. 33 (Web-Server-Issue) (2005)
Shigeki Mitaku, Takatsugu Hirokawa, Toshiyuki Tsuji
Amphiphilicity index of polar amino acids as an aid in the characterization of amino acid preference at membrane-water interfaces. Bioinform. 18 (4) (2002)
Takatsugu Hirokawa, S. Boon-Chieng, Shigeki Mitaku
SOSUI: classification and secondary structure prediction system for membrane proteins. Bioinform. 14 (4) (1998)