Molecular Field Extrema as Descriptors of Biological Activity: Definition and Validation
Author:
Affiliation:
1. Cresset Biomolecular Discovery Ltd., Spirella Building, Letchworth, Hertfordshire SG6 1ET, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci050357s
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3. On Possible Pitfalls in ab Initio Quantum Mechanics/Molecular Mechanics Minimization Approaches for Studies of Enzymatic Reactions
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