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Journal of Chemical Information and Modeling|March 28, 2015
FOCUS--Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal ChemistsNikolaus Stiefl, Peter Gedeck, Donovan Chin, et al.RSC Medicinal Chemistry|July 19, 2024
Geometric deep learning-guided Suzuki reaction conditions assessment for applications in medicinal chemistryKenneth Atz, David F Nippa, Alex T Müller, et al.Proteins|October 3, 2025
The CASP 16 Experimental Protein-Ligand DatasetsAndreas Tosstorff, Markus G Rudolph, Jörg Benz, et al.Bioorganic & Medicinal Chemistry Letters|August 7, 2012
Development of isoform selective PI3-kinase inhibitors as pharmacological tools for elucidating the PI3K pathwayIan Bruce, Mohammed Akhlaq, Graham C Bloomfield, et al.Journal of Chemical Information and Modeling|February 14, 2025
The Need for Continuing Blinded Pose- and Activity Prediction BenchmarksChristian Kramer, John Chodera, Kelly L Damm-Ganamet, et al.Journal of Medicinal Chemistry|September 29, 2017
Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA)Christian Kramer, Attilla Ting, Hao Zheng, et al.Frontiers in Microbiology|March 7, 2017
Discovery and Characterization of Diazenylaryl Sulfonic Acids as Inhibitors of Viral and Bacterial NeuraminidasesAnja Hoffmann, Martina Richter, Susanne von Grafenstein, et al.Journal of Pharmacological and Toxicological Methods|July 9, 2019
Safety screening in early drug discovery: An optimized assay panelStefanie Bendels, Caterina Bissantz, Bernhard Fasching, et al.Nature Microbiology|September 20, 2016
UDP-galactose and acetyl-CoA transporters as Plasmodium multidrug resistance genesMichelle Yi-Xiu Lim, Gregory LaMonte, Marcus C S Lee, et al.Nature|June 1, 2017
A Cryptosporidium PI(4)K inhibitor is a drug candidate for cryptosporidiosisUjjini H Manjunatha, Sumiti Vinayak, Jennifer A Zambriski, et al.Pageof 9