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Journal of Computational Chemistry|April 6, 2006
Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: ab initio fragment molecular orbital studyKaori Fukuzawa, Yuto Komeiji, Yuji Mochizuki, et al.Computational Biology and Chemistry|November 18, 2005
Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding proteinTadashi Nemoto, Dmitri G Fedorov, Masami Uebayasi, et al.RSC Advances|April 15, 2022
Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculationsKazuki Akisawa, Ryo Hatada, Koji Okuwaki, et al.Computational Biology and Chemistry|March 22, 2008
Water-mediated interactions in the CRP-cAMP-DNA complex: does water mediate sequence-specific binding at the DNA primary-kink site?Bryan M B VanSchouwen, Heather L Gordon, Stuart M Rothstein, et al.Journal of Chemical Information and Modeling|June 17, 2020
Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7)Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, et al.The Journal of Physical Chemistry. B|June 14, 2021
Dynamic Cooperativity of Ligand-Residue Interactions Evaluated with the Fragment Molecular Orbital MethodShigenori Tanaka, Shusuke Tokutomi, Ryo Hatada, et al.Biophysical Chemistry|July 28, 2007
Visualization analysis of inter-fragment interaction energies of CRP-cAMP-DNA complex based on the fragment molecular orbital methodIkuo Kurisaki, Kaori Fukuzawa, Yuto Komeiji, et al.The Journal of Physical Chemistry. B|March 4, 2024
Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital CalculationsYuma Handa, Koji Okuwaki, Yusuke Kawashima, et al.Physical Chemistry Chemical Physics : PCCP|August 17, 2019
Cm3+/Eu3+ induced structural, mechanistic and functional implications for calmodulinBjörn Drobot, Moritz Schmidt, Yuji Mochizuki, et al.Pageof 2