Protocol for Computational Enzymatic Reactivity Based on Geometry Optimisation-Reference-Cited by-同舟云学术

Protocol for Computational Enzymatic Reactivity Based on Geometry Optimisation

Published:2018-01-30 Issue:6 Volume:19 Page:669-689
ISSN:1439-4235
Container-title:ChemPhysChem
language:en
Short-container-title:ChemPhysChem

Author:

Cerqueira N. M. F. S. A.¹^ORCID,Fernandes P. A.¹,Ramos M. J.¹

Affiliation:

1. REQUIMTE-UCIBIO; Departamento de Química e Bioquímica; Faculdade de Ciências; Universidade do Porto; Rua do Campo Alegre s/n 4169-007 Porto Portugal

Funder

Fundação para a Ciência e a Tecnologia

Ministério da Educação e Ciência

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics

Reference151 articles.

1. Nature of Forces between Large Molecules of Biological Interest*

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3. Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

4. A simplified representation of protein conformations for rapid simulation of protein folding

5. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

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