Machine Learning and High-Performance Computing in Computational Drug Design: Methods and Applications

24^thApril - 28^thApril 2023

We are organizing a 5-day workshop, including hands-on training for future researchers and students from pharmaceutical sciences, biotechnology and bioinformatics, chemical sciences, and allied fields to get quickly acquainted with rational drug designing using artificial intelligence, physics-based methods and high-performance computing. For the hands-on training, the PRinS³® software will be used. In this 5 day workshop, leading drug designing, modeling and simulation experts will introduce state-of-the-art and emerging methods like machine learning, high throughput calculation, free energy methods, and cloud computing in drug design, screening and development. The license to the PRinS³ platform and access to the cloud will be provided to all the participants to practice and perform case studies during and after the workshop.

Benefits of the workshop:

• Methods to employ in computational biology include drug designing and screening.
• Case studies to sample all possible methods in computational biology, starting from collecting ligands molecules based on targets, docking, simulation, and FES.
• Utilizing AI-based methods to generate novel compounds with pre-trained models.
• Computing physiochemical properties and applying them as a filter for selecting the most probable active molecules.
• Detailed Hands-on training on all the major aspects of drug designing and screening - e.g., docking, Molecular Dynamics, Free Energy Methods, Generative AI, Preparation of large set of compounds (compound library, Screening large set of compounds
• Certification on successful completion of the training program.

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Host Institution:  Garden City University, Bangalore

Organizer of the workshop:  Prescience Insilico Pvt. Ltd. and Garden City University Bengaluru

Organizers: Prof. Rama Chandra Prasad, Department of Bioinformatics, Garden City University and Dr. Sudip Roy, Prescience Insilico Private Limited

Location of the event: Garden city University, Bangalore

Date of the workshop:  24th April to 28th April
Certificate will be provided on completion

Accommodation: Please arrange your own accommodation. We have tied up with Hotel Royal Residency, KR Puram - where you can get a discount. Please call them for booking and mention you are participating in workshop organised by Garden City University from 24th - 28th April. They have A/C and non-A/C rooms.