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Cover Feature: Protocol for Computational Enzymatic Reactivity Based on Geometry Optimisation (ChemPhysChem 6/2018)
Author(s) -
Cerqueira N. M. F. S. A.,
Fernandes P. A.,
Ramos M. J.
Publication year - 2018
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201800166
Subject(s) - cover (algebra) , feature (linguistics) , adiabatic process , protocol (science) , computer science , enzyme catalysis , computational geometry , geometry , chemistry , theoretical computer science , artificial intelligence , enzyme , mathematics , engineering , physics , biochemistry , mechanical engineering , thermodynamics , medicine , philosophy , linguistics , alternative medicine , pathology
The Cover Feature illustrates a general computational strategy to study enzymatic mechanisms based on adiabatic mapping and free geometry optimization presented in the paper as a guide for expert on non‐expert users. More information can be found in the Minireview by N. M. F. S. A. Cerqueira et al. on page 669 in Issue 6, 2018 (DOI: 10.1002/cphc.201700339).