Bhubaneshwar, Orissa | 3 Day Training Course in Molecular Docking & MD Simulations ~ helpBIOTECH

21 December 2017

Bhubaneshwar, Orissa | 3 Day Training Course in Molecular Docking & MD Simulations

BioDiscovery Group is conducting Workshops and eWorkshop since 2010. Till date we have successfully trained participants from several countries who were not only students but scientists, faculties, professor, company executives, etc. Till now we have conducted some great workshops in India as well as other countries please click here for all our upcoming as well as previous workshops and click here for the pictures of previous workshops.

We have launched 3 day course in Drug Discovery Technology covering Molecular Docking & MD Simulations in Bhubaneshwar, Orissa. The course will highlight this powerful computational technique and provide hands on practical experience on tools and software of this latest technology. You will learn in a better way as you will perform the tasks on your own computer systems. The course is designed to help students, researchers, doctors, faculties, professors, scientists and company professionals to understand and use concepts for increasing efficiency in drug discovery and designing.


· Introduction of Drug Discovery Technology
· Science involved in disease target identification
· Virtual screening
· In-silico generation of ligands
· Conversion of .mol files to .pdb files
· Homology Modeling
· Protein optimization & Energy Minimization
· Molecular Docking- Protein-Ligand & Protein-Protein.
· Creation of Grid Parameter & Dock Parameter files
· Running autogrid & autodock Algorithm
· Selection of inhibitors on the basis of binding energies(delta G) and Lipinski's Rule of 5
· Creating docking complex
· Structure Analysis- Protein & ligand complex
· Prediction of Molecular Properties
· Prediction of Bioactivity
· Drug Likeness
· Bioavailability, ADME & Toxicity
· Introduction to DNA, RNA & Protein
· Different Structures of Proteins
· Introduction to Different DATABASES
· Making a protein structure file.
· Solvating the protein in a water box- parameter generation for the protein or the small molecule
· Adding ions to the solvated protein.
· NAMD configuration file.
· Minimization & equilibration.
· Simulations parameters and running the simulations.
· Analysis of the simulations.


· ChemSketch
· OpenBabel
· Swiss Model
· MGL Tools
· Cygwin
· Text Editor
· UCSF Chimera
· Molinspiration
· Mol Soft
· ACD iLabs


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