Molecular Docking and MD Simulations ||Hands on Training Part 4

Опубликовано: 28 Ноябрь 2024
на канале: SOBP 21
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Society of Bioinformatics, Pakistan took the initiative to aware young Bioinformaticians and Academics-based Community about the different domains of Bioinformatics, starting with the most popular domain, which is Molecular Docking. Molecular Docking is frequently used in the Computer-Aided Drug Design (CADD). Molecular Docking is used to position the computer-generated 3D structure of small ligands into a receptor structure in various orientations, Conformation and Positions.

In this Lecture we have discussion in the following
What is Schrodinger?
How to Pre-process the Dock Structure for Simulation?
How to evaluate the Dock Interaction?

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