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Computational Biology and Chemistry|June 10, 2004
PEACH 4 with ABINIT-MP: a general platform for classical and quantum simulations of biological moleculesYuto Komeiji, Yuichi Inadomi, Tatsuya NakanoMolecules (Basel, Switzerland)|August 17, 2019
Potentiating Antigen-Specific Antibody Production with Peptides Obtained from In Silico Screening for High-Affinity against MHC-IIYoshiro Hanyu, Yuto Komeiji, Mieko KatoFEBS Letters|June 18, 2002
Molecular dynamics simulations revealed Ca(2+)-dependent conformational change of CalmodulinYuto Komeiji, Yutaka Ueno, Masami UebayasiChemistry (Weinheim an Der Bergstrasse, Germany)|July 21, 2012
FMO-MD simulations on the hydration of formaldehyde in water solution with constraint dynamicsMakoto Sato, Hiroshi Yamataka, Yuto Komeiji, et al.Methods in Molecular Biology (Clifton, N.J.)|February 5, 2020
Taking Water into Account with the Fragment Molecular Orbital MethodYoshio Okiyama, Kaori Fukuzawa, Yuto Komeiji, et al.Journal of Computational Chemistry|March 7, 2007
Change in a protein's electronic structure induced by an explicit solvent: an ab initio fragment molecular orbital study of ubiquitinYuto Komeiji, Toyokazu Ishida, Dmitri G Fedorov, et al.Physical Chemistry Chemical Physics : PCCP|April 18, 2014
Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systemsShigenori Tanaka, Yuji Mochizuki, Yuto Komeiji, et al.Journal of Computational Chemistry|May 28, 2008
Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvationYuto Komeiji, Takeshi Ishikawa, Yuji Mochizuki, et al.Journal of Molecular Graphics & Modelling|September 10, 2016
Hydration of ligands of influenza virus neuraminidase studied by the fragment molecular orbital methodKana Tokuda, Chiduru Watanabe, Yoshio Okiyama, et al.International Journal of Molecular Sciences|April 3, 2021
Ca2+-ATPase Molecules as a Calcium-Sensitive Membrane-Endoskeleton of Sarcoplasmic ReticulumJun Nakamura, Yuusuke Maruyama, Genichi Tajima, et al.Pageof 2