Transcript Hands-on Sessions

National Network For Mathematical and Computational Biology , Delhi Node
SPECIAL CENTRE FOR MOLECULAR MEDICINE (SCMM)
&
SCHOOL OF COMPUTATIONAL AND INTEGRATIVE SCIENCES (SCIS)
Jawaharlal Nehru University
announce
Instructional Workshop on
COMPUTATIONAL METHODS IN DRUG DISCOVERY
Organizing Secretaries
Vibha Tandon, Chairperson
SCMM, JNU, New Delhi
Anirban Chakraborti, Dean
SCIS, JNU, New Delhi
Awadhesh Prasad Coordinator,
NNMCB-Delhi Node
Indira Ghosh
SCIS, JNU, New Delhi
Coordinators
Andrew M. Lynn
SCIS, JNU, New Delhi
Naidu Subbarao
SCIS, JNU, New Delhi
Uma Dhawan,
BCAS, University of Delhi
Gagan Dhawan
ANDC, University of Delhi
Resource Persons
B. Jayaram
IIT, Delhi
P. V. Bharatam
NIPER, Mohali
S. Ramachandran
CSIR-IGIB, Delhi
Naidu Subbarao
SCIS, JNU, New Delhi
G. Narahari Sastry
CSIR-IICT, Hyderabad
Andrew Lynn
SCIS, JNU, New Delhi
Arnab Bhattacharjee
SCIS, JNU, New Delhi
Gagan Dhawan
ANDC, University of Delhi
Uma Dhawan
BCAS, University of Delhi
Local Organizing Committee
(SCMM, JNU)
C.K. Mukhopadhyay
R .K. Tyagi
S.K. Dhar
Gobardhan Das
Anand Ranganathan
Souvik Bhattacharjee
Saima Aijaz
Dipankar Ghosh
Computational Drug Discovery, Either Structure- Based or Ligand- Based
Plays a Major Role in the Development of Therapeutically Important Small
Molecules.
The workshop will include:
Lecture Sessions
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Introduction to Drug Discovery Pipeline
Computational Biology and Drug Discovery: Target Identification and Validation
Challenges in Modeling specificity, permeability, toxicity, and metabolism
Protein Structure Prediction and Molecular Modeling
Virtual Screening and Molecular Docking
Molecular Dynamics Simulations in Drug Design
Case Study: CADD methods in designing anti-malarial agents
Hands-on Sessions
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Working on UNIX environment and R
Identification of hits and lead optimization
Homology Modeling using Modeller
Molecular Docking using MGL Tools
Analyses of Results of Virtual Screening and Molecular Docking
Drug likeness properties using DRULITO
Selection of Potential Inhibitors on the basis of Lipinski rule of 5 and their Binding Energy Values
Prediction of Active Sites
Finding Interacting Residues of Active Site with the Ligand
Prediction of Physicochemical Properties of Molecules
MD simulations with GROMACS
PARTICIPATION
Bright and motivated students pursuing science, engineering or technology courses at the
undergraduate, postgraduate or doctoral levels can apply. Students with an interest in the
biological sciences and a basic computational knowledge will benefit from the workshop.
APPLICATION PROCEDURE
Interested candidates should download the application form available at JNU website
(http://www.jnu.ac.in/Events/#Aug), complete and send the scanned copy at [email protected]
rd
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latest by 3 August 2016. Selected candidates will be notified by e-mail by 5 August, 2016.
The selected candidates will be required to pay a participation fees of Rs. 1500/- on-spot by Demand
Draft drawn in favor of ‘Finance Officer , Jawaharlal Nehru University’. No cash payment will be
accepted.
Date and Time: August 9-11, 2016 (9:30 am to 5:00 pm)
Venue: Conference Room, Special Centre for Molecular Medicine , JNU
and Hands-on Session will be held at
School of Computational and Integrative Sciences, JNU, New Delhi
Supported By
Science and Engineering Board, Government of India & Jawaharlal Nehru University, New Delhi
Contact Information: SCMM office no. ; 011-26704559 / 26741781 , Cell no. +91-7838343345/ +917838665020