Simulation Foundry: Automated and F.A.I.R. Molecular Modeling
Author:
Affiliation:
1. Institute of Biochemistry and Technical Biochemistry, University of Stuttgart, Allmandring 31, 70569 Stuttgart, Germany
Funder
Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung
Deutsche Forschungsgemeinschaft
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/acs.jcim.0c00018
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1. Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models
2. Acceptance and Kinetic Resolution of α-Methyl-Substituted Aldehydes by Norcoclaurine Synthases
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