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Nature Communications|December 19, 2023
An RNA excited conformational state at atomic resolutionAinan Geng, Laura Ganser, Rohit Roy, et al.Nucleic Acids Research|August 26, 2015
Competitive interaction of monovalent cations with DNA from 3D-RISMGeorge M Giambaşu, Magdalena K Gebala, Maria T Panteva, et al.Journal of Computer-Aided Molecular Design|May 10, 2012
Evaluation of DOCK 6 as a pose generation and database enrichment toolScott R Brozell, Sudipto Mukherjee, Trent E Balius, et al.Nature Communications|July 10, 2023
Establishing mammalian GLUT kinetics and lipid composition influences in a reconstituted-liposome systemAlbert Suades, Aziz Qureshi, Sarah E McComas, et al.Journal of Medicinal Chemistry|September 21, 2017
Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical SpaceAxel Rudling, Robert Gustafsson, Ingrid Almlöf, et al.Journal of Chemical Information and Modeling|May 4, 2026
Improving AlphaFold2 Performance in Virtual Screens Targeting GPCRs by Enhancing Binding-Site Conformational SamplingNúria Mitjavila-Domènech, Alejandro Díaz-Holguín, Huabin Hu, et al.Journal of Chemical Theory and Computation|July 12, 2016
Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical ModelKarl T Debiec, David S Cerutti, Lewis R Baker, et al.Biophysical Journal|February 21, 2020
The Interplay between Molten Globules and Heme Disassociation Defines Human Hemoglobin DisassemblyPremila P Samuel, Mark A White, William C Ou, et al.Journal of the American Chemical Society|June 24, 2004
NMR structure of a cyclic polyamide-DNA complexQing Zhang, Tammy J Dwyer, Vickie Tsui, et al.Journal of Molecular Biology|February 19, 2008
Rescoring docking hit lists for model cavity sites: predictions and experimental testingAlan P Graves, Devleena M Shivakumar, Sarah E Boyce, et al.Pageof 39