Molecular Gas-Phase Conformational Ensembles
Author:
Affiliation:
1. Department of Chemistry, Michigan State University, 578 S. Shaw Lane, East Lansing, Michigan 48824, United States
Funder
Common Fund
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01309
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4. 3D-QSAR modeling, molecular docking and ADMET properties of benzothiazole derivatives as α-glucosidase inhibitors
5. Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations
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