Jump to Navigation

24 May 2022

Cloud-based Hands-on Workshop: Computational Methods in Hit and Lead Identification/Optimization for Drug Discovery

Cloud-based Hands-on Workshop: Computational Methods in Hit and Lead Identification/Optimization for Drug Discovery

Date of Event:
Tuesday, 24 May 2022 - 9:30am to Wednesday, 25 May 2022 - 4:00pm

Outline: The program shall include a two-day hands-on cloud-based workshop targeting structure & ligand-based drug discovery using the Schrödinger suite hosted in Amazon web servers. Participants shall get instance logins by which they shall get practical experience using the software and in-person guidance on the following topics: Maestro GUI, organic molecule enumerations, protein selection, preparation, hit/ lead optimizations, etc. They shall learn rational strategies to screen small molecule hit and lead identification against therapeutic targets of interest. The workshop shall include brief background presentations for Molecular Docking, pharmacophore modeling, 3D QSAR, and case studies on real-time industrial drug discovery projects.

Speaker information :

Dr. Pritesh Bhat
Dr. Pritesh Bhat is currently working as a Principal Scientist at Schrodinger, Bangalore. His doctoral research involved the identification of inhibitors for various enzyme targets of mycobacterium using different computational modeling approaches at Birla Institute of Technology and Science (BITS) Pilani. Post Ph.D., he joined as Research Scientist at Informatics and Modeling Group, Novel Drug Discovery and Development (NDDD) of Lupin Ltd, where he successfully collaborated with the medicinal chemist, the biologist in design and delivery of NCEs in Target to Hit to Lead and optimized lead for a wide range of therapeutic targets.

Vinod Devaraji
Vinod Devaraji Sr. Scientist Schrodinger, working with rational methods on Computer-aided drug discovery research field for the past 10 years; Completed M-Pharm with "Madras Medical College, College of Pharmacy" and bachelors from Padmavathi College of Pharmacy. From 2011 he had taken care of technical support, commercial drug discovery projects targeting diverse therapeutic modalities using Schrodinger computational programs. As an Application Scientist, he got excellent networking and vast learning opportunities with academic and commercial customers across the globe. He has represented Schrodinger giving many talks and holds experience in hosting various workshop programs and co-organized conferences for different institutes and commercial companies on trending scientific arguments. His current research matters of interest are python programming, drug discovery, Bio Data Cloud Analytics.he is holding 32 research publications in reputed international publications groups to his credit covering diverse drug designing techniques.

Eligibility : (Bioinformatics students only)
PhD Scholars
M.Tech 2nd year Students
M.Sc 2nd year Students

Organized by:
Dr. S. Mohane Coumar,
+91-413-2654-950
mohane@bicpu.edu.in

Notification Attachment: 
Date of Event: 
Tuesday, 24 May 2022 - 9:30am to Wednesday, 25 May 2022 - 4:00pm
Issue date: 
Thursday, 5 May 2022
Active

Calendar

Mon
Tue
Wed
Thu
Fri
Sat
Sun
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
 
May 2022