Takatsugu Hirokawa - researchr alias

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Viewing Publication 1 - 14 from 14

2024

Site Identification and Next Choice Protocol for Hit-to-Lead OptimizationGenki Kudo, Takumi Hirao, Ryunosuke Yoshino, Yasuteru Shigeta, Takatsugu Hirokawa. jcisd, 64(11):4475-4484, 2024. [doi]

2023

Pocket to concavity: a tool for the refinement of protein-ligand binding site shape from alpha spheresGenki Kudo, Takumi Hirao, Ryunosuke Yoshino, Yasuteru Shigeta, Takatsugu Hirokawa. bioinformatics, 39(4), April 2023. [doi]

AAp-MSMD: Amino Acid Preference Mapping on Protein-Protein Interaction Surfaces Using Mixed-Solvent Molecular DynamicsGenki Kudo, Keisuke Yanagisawa, Ryunosuke Yoshino, Takatsugu Hirokawa. jcisd, 63(24):7768-7777, December 2023. [doi]

2021

MDContactCom: a tool to identify differences of protein molecular dynamics from two MD simulation trajectories in terms of interresidue contactsChie Motono, Shunsuke Yanagida, Miwa Sato, Takatsugu Hirokawa. bioinformatics, 38(1):273-274, 2021. [doi]

2016

The Effect of Conformational Flexibility on Binding Free Energy Estimation between Kinases and Their InhibitorsMitsugu Araki, Narutoshi Kamiya, Miwa Sato, Masahiko Nakatsui, Takatsugu Hirokawa, Yasushi Okuno. jcisd, 56(12):2445-2456, 2016. [doi]

2015

Privacy-preserving search for chemical compound databasesKana Shimizu, Koji Nuida, Hiromi Arai, Shigeo Mitsunari, Nuttapong Attrapadung, Michiaki Hamada, Koji Tsuda, Takatsugu Hirokawa, Jun Sakuma, Goichiro Hanaoka, Kiyoshi Asai. bmcbi, 16(S18), December 2015. [doi]

2014

Extended Template-Based Modeling and Evaluation Method Using Consensus of Binding Mode of GPCRs for Virtual ScreeningMiwa Sato, Takatsugu Hirokawa. jcisd, 54(11):3153-3161, 2014. [doi]

Tertiary Structure Prediction of RNA-RNA Complexes Using a Secondary Structure and Fragment-Based MethodSatoshi Yamasaki, Takatsugu Hirokawa, Kiyoshi Asai, Kazuhiko Fukui. jcisd, 54(2):672-682, 2014. [doi]

2011

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)Seiji Hitaoka, Hiroshi Matoba, Masataka Harada, Tatsusada Yoshida, Daisuke Tsuji, Takatsugu Hirokawa, Kohji Itoh, Hiroshi Chuman. jcisd, 51(10):2706-2716, 2011. [doi]

Discovery of Chemical Compound Groups with Common Structures by a Network Analysis Approach (Affinity Prediction Method)Shigeru Saito, Takatsugu Hirokawa, Katsuhisa Horimoto. jcisd, 51(1):61-68, 2011. [doi]

2010

Analysis of protein-protein docking decoys using interaction fingerprints: application to the reconstruction of CaM-ligand complexesNobuyuki Uchikoga, Takatsugu Hirokawa. bmcbi, 11:236, 2010. [doi]

2005

GRIFFIN: a system for predicting GPCR-G-protein coupling selectivity using a support vector machine and a hidden Markov modelYukimitsu Yabuki, Takahiko Muramatsu, Takatsugu Hirokawa, Hidehito Mukai, Makiko Suwa. nar, 33(Web-Server-Issue):148-153, 2005. [doi]

2002

Amphiphilicity index of polar amino acids as an aid in the characterization of amino acid preference at membrane-water interfacesShigeki Mitaku, Takatsugu Hirokawa, Toshiyuki Tsuji. bioinformatics, 18(4):608-616, 2002.

1998

SOSUI: classification and secondary structure prediction system for membrane proteinsTakatsugu Hirokawa, S. Boon-Chieng, Shigeki Mitaku. bioinformatics, 14(4):378-379, 1998.

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