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BioDiscovery Group, India in collaboration with Department of Life Sciences, Bangalore University, Bangalore will conduct 3 day training cum workshop on Drug Discovery Technology entitled Drug Discovery Technology | A Molecular Modeling, Simulations & Dynamics Approach. This 3 day, hands-on training course will focus on the use of efficient technologies used in Structure based drug design and Molecular Simulations & Dynamics and the focus will be on the how the structural data can be used in molecular modeling to design lead molecules based on the structural features of the active site that can lead to design of new molecules which can be drugs and have good target potency. 

Practical approach in Molecular Modeling Dynamics & Simulations | Insights of Computational Biophysics will highlight this powerful computational technique and provide hands on practical experience on this technique. After lecture and discussions, participants will learn how to model a biological molecule such as a particular protein, solvate the protein, run minimization, equilibration and protein simulation and analyze the simulations.


  • 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
  • Protein optimization & Energy Minimization
  • Molecular Docking
  • 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
  • Homology Modelling
  • 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
  • MGL Tools
  • Cygwin
  • UCSF Chimera
  • Molinspiration & ACD iLabs
  • Mol Soft
  • ACD iLabs
  • VMD
  • NAMD


With basic knowledge in Life Science and Drug Design that would like to receive a comprehensive overview or refresher on the Drug Discovery Technology the target audience comprises
Student & Faculty: Bachelor, Masters, PhD, students as well as Faculty and Professors from Microbiology, Biochemistry, Biotechnology, Immunology, Pharmacy, Pharmaceutical Chemistry, Biomedical Technology, Genetics, Bioinformatics, Plant Science and Life Sciences.
Professionals: Biotechnology, Bioinformatics and Pharmaceutical scientists from industry, academia and regulatory agencies.
Hands-on exercises will be performed individually using software tools (no prior experience required).

Chairperson and Convener: 
Department of Life Sciences,
Jnana Bharathi Campus,
Bangalore University,
Organizing Secretary:
Dr Uday J, Dr. T P N Hariprasad,  Dr. B.M. Prabhu 
Department of Life Sciences,
Psychology Building,
Jnana Bharathi Campus,
Bangalore University,
Tel: 080 22961923
E-Mail Id: [email protected] OR [email protected] 

Workshop Material
Lunch & Refreshment 

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BioDiscovery Group, India, is a Contract Research Organization (CRO) that delivers quality services to Biotechnology, Bioinformatics and Pharmaceuticals companies and clients.
Established in 2009 the company's objective is creating a truly world-class organization which is fully committed to offering best services to the industry.
BioDiscovery Group's wide array of services include :

  • Contract Research
  • Workshops
  • eWorkshops
  • Research Projects
  • Internships
  • Training
  • Webinars
  • Seminar
  • Conferences

Our services are offered in :

  1. Bioinformatics - Basic and Advanced
  2. Gene and Genome Editing using CRISPR/Cas9, Cas12a, Nickases
  3. Drug Discovery Technology- Virtual Screening, Docking, ADMET
  4. Molecular Dynamics & Simulations
  5. Predictive Toxicology
  6. Next Generation Sequencing Data Analysis (WGS, DNASeq, RNASeq, ChipSeq, Denovo, Exome, Transcriptomics, MetaGenomics, IMMUNE RepSeq)
  7. Human Genetic Disease
  8. Gene Cloning & DNA Analysis in Biotechnology & in Research
  9. Artificial Intelligence & Machine Learning in Biology
  10. Mouse Bioinformatics
  11. Immunoinformatics
  12. Enzybiotics
  13. Genome Analysis & Annotation
  14. Comparative Genomics
  15. AgriGenomics & Plant informatics for improved growth & its medicinal value to design drugs. ...
BDG Lifesciences
Level-5, Caddie Commercial Tower, Aerocity, Indira Gandhi International (IGI) Airport, New Delhi, Other..., India 110037
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