National Workshop on Computational Approaches to Drug Discovery | December 13-19, 2017 ~ helpBIOTECH

06 November 2017

National Workshop on Computational Approaches to Drug Discovery | December 13-19, 2017

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National Workshop
Computational Approaches to Drug Discovery

(Sponsored by Department of Biotechnology, Government of India)

December 13-19, 2017

Computational Approaches to Drug Design

Now-a-days Computational Approaches to Drug Discovery (CADD) tools are cast-off in Medicinal and Pharmaceutical Chemistry, Molecular Biology, Biochemistry etc. The main benefit of CADD is its cost effectiveness in research and development of new drugs. Wide ranges of software are used in CADD via grid computing to accomplish various research goals in drug discovery process. Soft wares such as AutoDock, Discovery studio and Schrodinger are being used for structure based drug designing. CADD uses APIs, programming languages such as JAVA, Perl and Python etc., including software libraries. There are different techniques used in CADD homology modelling, molecular docking, energy minimization, QSAR, pharmocophore modelling, and molecular dynamics simulations etc. Thus, the workshop "Computational Approaches to Drug Discovery-2017" will provide a stage to critically analyze and understand the methods and mechanisms involved in computer aided drug design targeted towards various diseases such as cancer, autoimmune, microbial infections, and drug targeting.


The program will be focused on the advancement and exploration of modern trends in drug discovery viz. Computational strategies, Bioinformatics tools, biological databases, molecular modeling, analyzing bio-molecular interactions and rational drug design.

Subject Area

Bioinformatics, Computational Biology, Protein Modeling & Computer Aided Drug Designing.

Outline of the Workshop:

Workshop will be conducted in two sessions Morning and Evening. Morning session will have lectures from faculty members from the Centre and other eminent scientists on topics mentioned above. Demonstrations and hands on training in the evening session will be organized by faculty members of the Centre in the following fields:
  1. Structure elucidation of organic putative bioactive- compounds including novel synthetic schemes, use of computational techniques, etc

  2. In silico and in vitro techniques for drug target identification, gene cloning, protein purification and structural biology investigations (X-ray protein crystallography, cryo-electron microscopy, etc.)

  3. In silico structure and ligand based drug design tools for virtual screening, lead optimization and molecular dynamics simulations
Course Content

Science involved in disease target identification.

Various computational approaches in drug discovery using bioinformatic tools, introduction to Drug Designing, molecular modeling, QSAR studies, protein optimization & energy minimization , molecular dynamics, protein-protein interaction networks, pathway analysis, protein-ligand complex analysis, exploring chemical databases, virtual screening, ligand and structure based docking approaches, various online tools for predicting ADME and Drug-likeness, bioavailability, toxicity, Lipinski's Rule of 5 will be discussed in detail and queries and doubts will be solved.

Level of Participants

The "Computational Approaches to Drug Discovery" workshop is directed to young scientists/researchers (Ph.D. students), post-doctoral fellows, as well as experienced scientists/researchers from academia and industry with a background in Chemistry, Pharmacy, Biology, Medicine and Biotechnology. Young faculty members of universities/ colleges, Research scholars pursuing research in the field of Drug Discovery, Bioinformatics Computational Biology and related fields are invited to participate.

Prerequisites : Knowledge in basics of Computers

Number of Participants : 40 (on first-come, first-served basis)

Date : December 13-19th, 2017

Duration : Seven days

Boarding & Lodging Arrangements : Boarding and lodging is available for limited number of candidates, which will be provided on first-cum-first basis.

Registration Fee
  • Research Scholars: Rs.1000/- (without accommodation)
  • Faculty: Rs. 3000/- (boarding and lodging is as per actual cost basis)
  • Industry sponsored personnel: Rs.5000/- (boarding and lodging as per actual cost basis)
  • USD.100.00 (SAARC, boarding and lodging as per actual cost basis)
  • USD.500.00 (Other Countries, Boarding and lodging as per actual cost basis).

The registration charges includes symposium proceedings working lunch and refreshments. The demand draft should be taken in favour of "Organizing Secretary-CADD-2017" payable at Pondicherry.

How to Register

Applicants can register only by online at with the demand draft details. Demand draft should be sent by speed post to Dr. A. Dinakara Rao, Organizing Secretary, so as to receive on or before December 05, 2017. (Participant's name and address should be written at the back). Confirmation of registration will be done by return e-mail.

Important Dates Registration closes   : November 20, 2017


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