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Journal of Computational Chemistry|May 26, 2020
Alchemical free energy calculations via metadynamics: Application to the theophylline-RNA aptamer complexYoshiaki Tanida, Azuma MatsuuraPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|April 28, 2009
Massively parallel computation of absolute binding free energy with well-equilibrated statesHideaki Fujitani, Yoshiaki Tanida, Azuma MatsuuraBiophysics (Nagoya-Shi, Japan)|August 6, 2016
Full-Quantum chemical calculation of the absorption maximum of bacteriorhodopsin: a comprehensive analysis of the amino acid residues contributing to the opsin shiftTomohiko Hayashi, Azuma Matsuura, Hiroyuki Sato, et al.The Journal of Physical Chemistry. A|July 13, 2006
Excited states of phosphorescent platinum(II) complexes containing N wedge C wedge N-coordinating tridentate ligands: spectroscopic investigations and time-dependent density functional theory calculationsWataru Sotoyama, Tasuku Satoh, Hiroyuki Sato, et al.Journal of Chemical Theory and Computation|November 27, 2015
High-Level ab Initio Calculations To Improve Protein Backbone Dihedral ParametersHideaki Fujitani, Azuma Matsuura, Sino Sakai, et al.Journal of Computational Chemistry|August 11, 2006
Accurate evaluation of the absorption maxima of retinal proteins based on a hybrid QM/MM methodAzuma Matsuura, Hiroyuki Sato, Hirohiko Houjou, et al.Molecular Informatics|October 8, 2019
Graph Classification of Molecules Using Force Field Atom and Bond TypesHideyuki Jippo, Tatsuru Matsuo, Ryota Kikuchi, et al.Journal of Molecular Modeling|May 19, 2010
Docking study and binding free energy calculation of poly (ADP-ribose) polymerase inhibitorsKazuki Ohno, Takashi Mitsui, Yoshiaki Tanida, et al.Pageof 1