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Molecular Informatics|January 6, 2021
QSAR Modeling of SARS-CoV Mpro Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS-CoV-2Vinicius M Alves, Tesia Bobrowski, Cleber C Melo-Filho, et al.
Molecular Informatics|December 7, 2020
Targeting Mycobacterium Tuberculosis Enoyl-Acyl Carrier Protein Reductase Using Computational Tools for Identification of Potential Inhibitor and their Biological ActivityJitendra Kuldeep, Sandeep K Sharma, Tanuj Sharma, et al.
Molecular Informatics|December 7, 2020
Chemoinformatics for the Safety of Energetic and Reactive Materials at InerisGuillaume Fayet, Patricia Rotureau
Molecular Informatics|September 8, 2022
Extensive Molecular Dynamics Simulations Disclosed the Stability of mPGES-1 Enzyme and the Structural Role of Glutathione (GSH) CofactorSimone Di Micco, Gianluigi Lauro, Giuseppe Bifulco
Molecular Informatics|March 19, 2021
Effect of Learning Dataset for Identification of Active Molecules: A Case Study of Integrin αIIbβ3 InhibitorsKentaro Kawai, Mami Tomonou, Yume Machida, et al.
Molecular Informatics|January 11, 2022
Antibacterial Activity Prediction of Plant Secondary Metabolites Based on a Combined Approach of Graph Clustering and Deep Neural NetworkMohammad Bozlul Karim, Shigehiko Kanaya, Md Altaf-Ul-Amin
Molecular Informatics|January 7, 2022
Metabolovigilance: Associating Drug Metabolites with Adverse Drug ReactionsHenry Tan, Scott M Reed
Molecular Informatics|November 23, 2021
Chemoinformatics and Machine Learning Approaches for Identifying Antiviral CompoundsLijo John, Yarasi Soujanya, Hridoy Jyoti Mahanta, et al.
Molecular Informatics|November 3, 2022
Experimentally Validated Novel Factor XIIa Inhibitors Identified by Docking and Quantum Chemical Post-processingIvan Ilin, Nadezhda Podoplelova, Alexey Sulimov, et al.
Molecular Informatics|September 29, 2022
Consensus Virtual Screening Protocol Towards the Identification of Small Molecules Interacting with the Colchicine Binding Site of the Tubulin-microtubule SystemEdgar López-López, Carlos M Cerda-García-Rojas, José L Medina-Franco
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