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Journal of Chemical Theory and Computation|June 7, 2024
Quantum Chemistry-Based Protein-Protein Docking without Empirical ParametersSumire Kousaka, Takeshi IshikawaYakugaku Zasshi : Journal of the Pharmaceutical Society of Japan|January 5, 2016
[Applications of the Fragment Molecular Orbital Method in Drug Discovery]Takeshi IshikawaJournal of Computer-Aided Molecular Design|September 15, 2016
Prediction of peptide binding to a major histocompatibility complex class I molecule based on docking simulationTakeshi IshikawaJournal of Chemical Theory and Computation|December 1, 2015
Interaction Analysis of the Native Structure of Prion Protein with Quantum Chemical CalculationsTakeshi Ishikawa, Kazuo KuwataThe Journal of Chemical Physics|March 4, 2005
Theoretical study of the photoinduced transfer among the ground state and two metastable states in [Fe(CN)5NO]2-Takeshi Ishikawa, Kiyoshi TanakaThe Journal of Physical Chemistry Letters|August 20, 2015
RI-MP2 Gradient Calculation of Large Molecules Using the Fragment Molecular Orbital MethodTakeshi Ishikawa, Kazuo KuwataJournal of Chemical Theory and Computation|August 25, 2021
Visualization of the Interfacial Electrostatic Complementarity: A Method for Analysis of Protein-Protein Interaction Based on Ab Initio Quantum Chemical CalculationsHiroki Ozono, Takeshi IshikawaJournal of Computational Chemistry|May 2, 2009
Theoretical study of the prion protein based on the fragment molecular orbital methodTakeshi Ishikawa, Takakazu Ishikura, Kazuo KuwataRSC Advances|June 14, 2024
Nucleophilic fluorine substitution reaction of α-carbonyl benzyl bromide, phenylthiofluoroalkyl bromide, and 2-bromo-2-phenoxyacetonitrileSatoshi Mizuta, Tomoko Yamaguchi, Takeshi IshikawaThe Journal of Physical Chemistry. B|October 18, 2022
Quantification and Neutralization of the Interfacial Electrostatic Potential and Visualization of the Dispersion Interaction in Visualization of the Interfacial Electrostatic ComplementarityHiroki Ozono, Kento Mimoto, Takeshi IshikawaPageof 29