The Indian Institute of Information Technology and Management-Kerala (IIITM-K) will organise an international seminar here later this month to impart knowledge of advanced modelling techniques in drug discovery to chemists and life science experts.
IIITM-K, which is run by the Kerala government, will organise the seminar titled "Computational Drug Discovery in Pharma R&D" in association with US chemical simulation software manufacturer Schrödinger, USA, June 30, a press statement said Tuesday.
The seminar will look into the importance of ligand (a molecule in biochemistry) and protein preparation in computational studies, docking in virtual screening of ligands and focused library design of selective estrogen receptor.
Modulators using combinatorial docking method, quantum mechanics in structure based drug design, novel methods to predict protein conformational changes during ligand binding are included for deliberations.
Jorg Weiser, vice president, Schrödinger, Germany; Shashidhar Rao, senior application scientist, Schrödinger, USA; Jas Gata Aura, Schrödinger, Britain and R. Raghu, Schrödinger, India, will be among those who deliver lectures on the occasion.
One of the missions of state-run IIITM-K is to use IT to support higher education and research in various scientific and technology domains.
Schrödinger is widely recognised as a scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical and biotechnology research.
The company's products range from general molecular modelling programmes to a full-featured suite of drug design software including both ligand and structure based methods.