-
[41] Groenhof G. Introduction to QM/MM Simulations. In: Monticelli L, Salonen E, editors. Biomolecular Simulations. Met Mol Biol, 2013, 924, 43-66.
-
RELATION NAME
-
[43] Torres E, Ayala M., Biocatalysis by Metalloenzymes. In: Poeppelmeier JR, editor. Comprehensive Inorganic Chemistry II (Second Edition). Amsterdam: Elsevier; 2013, 685-735.
-
[44] Lodola A, De Vivo M., The Increasing Role of QM/MM in Drug Discovery. In: Christo C, Tatyana K-C, editors. Advances in Protein Chemistry and Structural Biology, Academic Press, 2012, 337-62.
-
[45] Feliciano GT, da Silva AJR. Unravelling the reaction mechanism of matrix metalloproteinase 3 using QM/MM calculations. J Mol Struct, 2015, 1091(0), 125-32.
-
[46] Hermann JC, Hensen C, Ridder L, Mulholland AJ, Höltje H-D. Mechanisms of Antibiotic Resistance: QM/MM Modeling of the Acylation Reaction of a Class A β-Lactamase with Benzylpenicillin. J Am Chem Soc, 2005, 127(12), 4454-65.
-
[47] Hermann JC, Ridder L, Holtje H-D, Mulholland AJ. Molecular mechanisms of antibiotic resistance: QM/MM modelling of deacylation in a class A
-
[small beta]-lactamase. Org Biomol Chem, 2006, 4(2), 206-10.
-
RELATION NAME
-
[49] Palermo G, Rothlisberger U, Cavalli A, De Vivo M. Computational insights into function and inhibition of fatty acid amide hydrolase. Eur J Med Chem, 2015, 91(0), 15-26.