QM/MM Calculations with deMon2k-Reference-Cited by-同舟云学术

QM/MM Calculations with deMon2k

Published:2015-03-16 Issue:3 Volume:20 Page:4780-4812
ISSN:1420-3049
Container-title:Molecules
language:en
Short-container-title:Molecules

Author:

Salahub Dennis,Noskov Sergei,Lev Bogdan,Zhang Rui,Ngo Van,Goursot Annick,Calaminici Patrizia,Köster Andreas,Alvarez-Ibarra Aurelio,Mejía-Rodríguez Daniel,Řezáč Jan,Cailliez Fabien,de la Lande Aurélien

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

Link

http://www.mdpi.com/1420-3049/20/3/4780/pdf

Reference87 articles.

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

3. Free Energies of Chemical Reactions in Solution and in Enzymes with Ab Initio Quantum Mechanics/Molecular Mechanics Methods

4. QM/MM methods for biological systems;Senn;Top. Curr. Chem.,2007

5. QM/MM Methods for Biomolecular Systems

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