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KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding.

, , , и . J. Chem. Inf. Model., 59 (9): 3630-3634 (2019)

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Rebecca C Peterson

Rebecca C Peterson

Diana Wadé

Markus Wadé

Graham Wade

 

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Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program, , , , , , , , , и 1 other автор(ы). Comput. Phys. Commun., 91 (1-3): 57--95 (сентября 1995)Kinetics for Drug Discovery: an industry-driven effort to target drug residence time, , , , , , , , , и 16 other автор(ы). Drug Discovery Today, 22 (6): 896 - 911 (2017)ProSAT2 - Protein Structure Annotation Server., , , и . Nucleic Acids Res., 34 (Web-Server-Issue): 79-83 (2006)Prediction of the Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis., , и . J. Chem. Inf. Model., 61 (7): 3708-3721 (2021)Biomolecular diffusional association, и . Curr. Opin. Struct. Biol., (2002)3D modeling of macromolecular structures and reactions in the context of genomes., , и . German Conference on Bioinformatics, стр. 151-152. German Research Center for Biotechnology, (2001)Biomolecular diffusional association., и . Curr. Opin. Struct. Biol., 12 (2): 204--213 (апреля 2002)Targeting protein dynamics in drug design.. J. Cheminformatics, 5 (S-1): 1 (2013)Organism-Adapted Specificity of the Allosteric Regulation of Pyruvate Kinase in Lactic Acid Bacteria., , , , , и . PLoS Comput. Biol., (2013)Biochemical network-based drug-target prediction., , и . Current opinion in biotechnology, 21 (4): 511--516 (14.08.2010)