In this intensive training, participants will learn the science involved in disease target identification, virtual screening techniques, in-silico generation of ligands, protein optimization & energy minimization, molecular docking, creation of Grid Parameter & Dock Parameter files, running the Docking Algorithm, pharmacophore modeling, and drug repurposing. They will also learn how to select potent inhibitors on the basis of binding energies and Lipinski ’s Rule of 5, how to look for H-bonds between ligands and active sites of protein residues as well as aspects of drug Likeness, ADME & Toxicity. Practical hands-on training will encompass training on the use of KenClust, software such as MarvinSketch, UCSF Chimera, AutoDock Tools, Ligand Scout, Rosetta, Open Babel, and SPDV among others. Additional training will include pharmacophore modelling and use of AI tools such as AlphaFold to predict 3D Structure and generative AI for drug discovery. Lab work will include bacterial culture, antimicrobial susceptibility testing, and genotoxicity testing.
At the end of this course, the participant will be able to:
At the end of this course, the participant will be able to:
Using the most powerful software, you will gain the latest skills in computer-aided drug design.
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The course is ideal for students and researchers working in the pharma, biotech, and medical industries. The following terms and conditions apply.
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