Open AccessDevelopment of computational tools to enhance the study of catalytic mechanisms
Author(s) -
Henrique S. Fernandes,
Maria João Ramos,
Nuno M. F. S. A. Cerqueira
Publication year - 2017
Language(s) - English
Resource type - Conference proceedings
DOI - 10.3390/mol2net-03-05073
Subject(s) - oniom , serine hydroxymethyltransferase , qm/mm , gaussian , chemistry , computer science , gaussian elimination , computational chemistry , computational science , catalysis , serine , enzyme , molecular dynamics , organic chemistry