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Molecular Informatics|January 6, 2022
An AI-based Prediction Model for Drug-drug Interactions in Osteoporosis and Paget's Diseases from SMILESTruong Nguyen Khanh Hung, Nguyen Quoc Khanh Le, Ngoc Hoang Le, et al.Molecular Informatics|December 8, 2021
Block-wise Exploration of Molecular Descriptors with Multi-block Orthogonal Component Analysis (MOCA)Sebastian Schmidt, Michael Schindler, Lennart ErikssonMolecular Informatics|January 17, 2022
Virtual Screening Inhibitors of Ubiquitin-specific Protease 7 Combining Pharmacophore Modeling and Molecular DockingSiyu Zhang, Yifan Wang, Lu Liu, et al.Molecular Informatics|April 22, 2017
Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor SpaceTomoyuki Miyao, Kimito FunatsuMolecular Informatics|December 28, 2021
Pharmacophore-guided Virtual Screening to Identify New β3 -adrenergic Receptor AgonistsNavista Sri Octa Ujiantari, Seungmin Ham, Chisae Nagiri, et al.Molecular Informatics|October 22, 2021
Machine Learning for Prediction of Drug Targets in Microbe Associated Cardiovascular Diseases by Incorporating Host-pathogen Interaction Network ParametersNirupma Singh, Sonika BhatnagarMolecular Informatics|July 3, 2019
Identification of New Potent Human Uncoupling Protein 1 (UCP1) Agonists Using Virtual Screening and in vitro ApproachesHong-Yuan Lu, Nan Wang, Xiang Li, et al.Molecular Informatics|June 13, 2019
Novel Electrotopological Atomic Descriptors for the Prediction of Xenobiotic Cytochrome P450 ReactionsKazuma Kaitoh, Masaaki Kotera, Kimito FunatsuMolecular Informatics|June 6, 2019
In silico Design, Virtual Screening and Synthesis of Novel Electrolytic SolventsG Marcou, B Flamme, G Beck, et al.Molecular Informatics|April 8, 2022
Investigation of the Potential of Bile Acid Methyl Esters as Inhibitors of Aldo-keto Reductase 1C2: Insight from Molecular Docking, Virtual Screening, Experimental Assays and Molecular DynamicsMaja A Marinović, Edward T Petri, Ljubica M Grbović, et al.Pageof 101