Forage饲料 发表于 2025-3-26 22:32:04
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http://reply.papertrans.cn/29/2823/282272/282272_33.pngWATER 发表于 2025-3-27 11:13:50
Understanding the Risks of Forecastingbe a tutorial to carry out docking simulations with MVD and how to perform a statistical analysis of the docking results with the program SAnDReS. To illustrate the integration of both programs, we describe the redocking simulation focused the cyclin-dependent kinase 2 in complex with a competitive inhibitor.变化 发表于 2025-3-27 14:28:02
,Electrostatic Energy in Protein–Ligand Complexes,of a ligand by the binding pocket of a protein target. Moreover, we analyze the electrostatic potential energy for an ensemble of structures to highlight the main features related to the importance of this interaction for binding affinity.统治人类 发表于 2025-3-27 21:29:28
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https://doi.org/10.1007/978-1-4939-9752-7Drug discovery; Protein-ligand docking simulations; Scoring functions; Molecular docking simulation; Com胆小鬼 发表于 2025-3-28 08:48:30
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Walter Filgueira de Azevedo Jr.Includes cutting-edge techniques.Provides step-by-step detail essential for reproducible results.Contains key implementation advice from the experts