Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation

von Komeiji, Yuto
Veröffentlicht in: Journal of computational chemistry (2009)

Change in a protein's electronic structure induced by an explicit solvent an ab initio fragment molecular orbital study of ubiquitin

von Komeiji, Yuto
Veröffentlicht in: Journal of computational chemistry (2007)

Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA ab initio fragment molecular orbital study

von Fukuzawa, Kaori
Veröffentlicht in: Journal of computational chemistry (2006)