Open AccessSingle vs Multi Conformational QM/MM approach for enzymatic catalysis: The case of study of the HBP Sdesulfinase from the 4S pathway
Author(s) -
Pedro Alexandrino Fernandes,
João Pedro Marques Sousa,
Susana R. Sousa,
Maria João Ramos
Publication year - 2018
Publication title -
proceedings of mol2net 2018, international conference on multidisciplinary sciences, 4th edition
Language(s) - English
Resource type - Conference proceedings
DOI - 10.3390/mol2net-04-06091
Subject(s) - sulfur , chemistry , flue gas desulfurization , molecule , catalysis , reactivity (psychology) , enzyme catalysis , organic chemistry , combinatorial chemistry , medicine , alternative medicine , pathology