Building Admiral, an Automated Molecular Dynamics and Analysis Platform
Author:
Affiliation:
1. Computational Chemistry and Cheminformatics, Eli Lilly and Company Inc., San Diego, California 92121, United States
2. Research Information and Digital Solution, Eli Lilly and Company Inc., Indianapolis, Indiana 46285, United States
Publisher
American Chemical Society (ACS)
Subject
Organic Chemistry,Drug Discovery,Biochemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acsmedchemlett.0c00458
Reference16 articles.
1. Creating a Virtual Assistant for Medicinal Chemistry
2. Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
3. Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes
4. Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
5. Glide, Schrödinger Release 2019-2; Schrödinger LLC, New York, 2019.
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1. MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics;Journal of Computer-Aided Molecular Design;2024-07-17
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