Accuracy Assessment and Automation of Free Energy Calculations for Drug Design
Author:
Affiliation:
1. Department of Lead Identification and Optimization Support, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach, 88397 Germany
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/ci4004199
Reference58 articles.
1. Mining Electronic Laboratory Notebooks: Analysis, Retrosynthesis, and Reaction Based Enumeration
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5. Molecular Recognition and Ligand Association
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