Training materials
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youtube video, Series of videos, Presentation, tutorials
8th Advanced in silico Drug Design workshop lectures
•• IntermediateDrug discovery Computational biology Computational chemistry Molecular modelling Molecular dynamics Pharmacology Proteins Drug development in silico drug design Drug-like molecules … -
youtube video, Series of videos, slideck/ presentation, tutorials
7th Advanced in silico Drug Design workshop lectures
•• IntermediateDrug discovery Computational biology Computational chemistry Molecular modelling Molecular dynamics Pharmacology Proteins in silico drug design, Drug design, Drug discovery, Drug screening, pharmacophore, chemical biology, QSAR, Molecular docking, molecular modelling, PDBe, PDBe-KB, ChEMBL, De novo, deep learning, cheminformatics, AlphaFold, Quantum mechanics/molecular mechanics -
e-learning
Data management in Medicinal Chemistry
• BeginnerComputational chemistry FAIR Data, Workflows, and Research computational-chemistry data-management fair medicinal-chemistry -
e-learning
Protein-ligand docking
•• IntermediateComputational chemistry Computational chemistry -
e-learning
Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
•• IntermediateComputational chemistry Computational chemistry -
e-learning
Running molecular dynamics simulations using GROMACS
•• IntermediateComputational chemistry Computational chemistry -
e-learning
Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring
•• IntermediateComputational chemistry Computational chemistry covid19 one-health -
e-learning
High Throughput Molecular Dynamics and Analysis
••• AdvancedComputational chemistry Computational chemistry -
e-learning
Analysis of molecular dynamics simulations
•• IntermediateComputational chemistry Computational chemistry -
e-learning
Running molecular dynamics simulations using NAMD
•• IntermediateComputational chemistry Computational chemistry
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