Hybrid ab initio quantum mechanics/molecular mechanics calculations of free energy surfaces for enzymatic reactions: The nucleophilic attack in subtilisin

J. Bentzien; R. P. Muller; J. Florián; A. Warshel

doi:10.1021/jp973480y

Hybrid ab initio quantum mechanics/molecular mechanics calculations of free energy surfaces for enzymatic reactions: The nucleophilic attack in subtilisin

J. Bentzien, R. P. Muller, J. Florián, A. Warshel

University of Southern California

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	2293-2301
Number of pages	9
Journal	Journal of Physical Chemistry B
Volume	102
Issue number	12
DOIs	https://doi.org/10.1021/jp973480y
State	Published - Mar 19 1998
Externally published	Yes

ASJC Scopus Subject Areas

Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry

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10.1021/jp973480y

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author = "J. Bentzien and Muller, \{R. P.\} and J. Flori{\'a}n and A. Warshel",

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AU - Florián, J.

AU - Warshel, A.

PY - 1998/3/19

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JO - Journal of Physical Chemistry B

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Hybrid ab initio quantum mechanics/molecular mechanics calculations of free energy surfaces for enzymatic reactions: The nucleophilic attack in subtilisin

ASJC Scopus Subject Areas

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