QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis-Reference-Cited by-同舟云学术

QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

Published:2003-08 Issue:1-3 Volume:632 Page:1-28
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Sherwood Paul,de Vries Alex H.,Guest Martyn F.,Schreckenbach Georg,Catlow C.Richard A.,French Samuel A.,Sokol Alexey A.,Bromley Stefan T.,Thiel Walter,Turner Alex J.,Billeter Salomon,Terstegen Frank,Thiel Stephan,Kendrick John,Rogers Stephen C.,Casci John,Watson Mike,King Frank,Karlsen Elly,Sjøvoll Merethe,Fahmi Adil,Schäfer Ansgar,Lennartz Christian

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference110 articles.

1. EUROPORT: see http://www.gmd.de/SCAI/europort-1/EUROPORT.HTM.

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

3. Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

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