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Computer Aided Drug Designing

ArrayGen > Services > Computer Aided Drug Designing

  Good News For Researchers !!!
A workshop for PhD students and post-doctoral researchers coming with their own real data sets will get the training and their data analysis done at considerable discount. After this course they will be able to analyze their own data and create ready-to-publish graphics.

Goals :

Computer aided drug designing workshop will provide hands on training on structure and target based design, molecular modeling, quantum mechanics, drug likeness properties, QSAR and pharmacokinetic and dynamics

Participants will be introduced with its applicability to real-time data analysis problem. All our training content is as per industrial requirement and 100% practical exposure which will help candidate to make their better career in the field of bioinformatics.

Hurry up and register soon...To become expert in Bioinformatics !

## 10% Discount if you register before 25th September, 2023. Hurry up!!

Computer Aided Drug Designing(CADD) Training Program

Training Information
Period of Training Offline - 21 Days Training   [ 2 Hours Daily [ Monday To Friday ] ]
Online - 21 Days Training   [ 2 Hours Daily [ Monday To Friday ] ]
Registration Open
(Training can be started on any date any timing as per the candidate convenience)
Module - I Ligand Based Drug Design(Pharmacophore design)
Topics -Introduction to Bioinformatics and Understanding Genomics, Proteomics and CADD
-Databases(NCBI- GeneDB and ProteinDB,PubMed,Uniprot,KEGG Pathway,PubChem,Drug Bank,RCSB-PDB,ZINC,ModBase)
-Understanding file formats (sdf,mol,pdb)
-1D Line Notations (SMILES, InChI)
-Sequence Based Search Tool [BLAST]
-Linux Installation + Commands + CADD Tools installation [Gromacs, etc.]
-Python Programming for handling large Data or Automation process
-Collection of primary key data
-Pharmacophore preparation
-Chemical Library preparation based on Pharmacophore
-Insilico Screening (ADME)
-Toxicity screening
-QSAR (Quantitative structure-activity relationship) Model
Module - II Structure based Drug Design (target-ligand docking)
Topics -Introduction to Structure based Drug Design and process layout of Docking
-Data mining, literature study and acquisition of target structure
-Comparative modelling of protein (Homology modelling) *target structure not available
-Server based –PHYRE, RaptorX, SWISSMODEL, I-TASSER, etc.
-Protein structure validation(ProSA)
-Ramachandran plot assessment(RAMPAGE,Pdbsum,Procheck)
-Active site/ Pocket identification –MetaPocket,CastP,Active site identification using PyMol
-Molecular Docking *using AutoDock vina/AutoDock Tools/PyRx (For docking of multiple ligands)
-Protein and ligand preparation
-Setting grid parameters and Docking parameters
-Docking analysis (based on binding energy, Hydrogen bond interactions, electrostatic interactions, hydrophobic interactions, etc.)
-BINANA (BINding ANAlyser)
-Pdbsum for visualising protein-ligand interactions
-Building protein-ligand complex and visualization(publication standard)
-Report construction
Module - III Molecular Dynamics(MD) Simulation
Topics -Introduction to Molecular Dynamics Simulations
-Basic Principles of Molecular Dynamics Simulations(Non-bonded interactions,Bonding Potentials, Force fields)
-Molecular Dynamics Simulation using GROMACS/VMD-NAMD
-Installation of softwares required for simulations
-Definition of molecular structures, Force field and topology,Preparation of files
-Simulation(Energy Minimization,Heating,Equilibration,Production)
-Analysis of results
-Simulating many molecules
Eligibility B.Sc/B.Tech/M.Tech. / M.Sc. /Ph.D /PostDocs/Any Life Sciences in Biological Science, Computer science, Pharmacy, Agriculture, Biotechnology, Molecular biology, Medicine, clinical research and other relevant Qualification in the life sciences areas are eligible.
Certificate All the participants will receive certificates on successful completion of training
Place ArrayGen, Pune, India


Registration is now open please request to sign up to reserve your place! If you are interested, you can mail us at We hope to see you in this new year. Dont miss this opportunity.

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ArrayGen Technologies Pvt. Ltd.
Raj Tower 3rd Floor, Shivaji Chowk, Near Shivaji statue,Kothrud, Pune,Maharashtra 411038 (India)
Phone :: +91 2025395446
Mobile :: +91 9673625446
Skype :: arraygen
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