Hemant Kumar Srivastava

Principal Investigator Ramanujan Project
IIT Guwahati

Hemant Kumar Srivastava has more than ten years of postdoctoral experience and a thorough exposure on various chemo/bio-informatics procedures. Computer aided drug design (CADD), transition state calculations for finding reaction path and important intermediates in chemical and biological systems, molecular dynamics simulations on macromolecules and high-level QM and QM/MM calculations are his main expertise areas. He published around 40 research papers (cited more than 850 times). His awards and honours include Prestigious Young Scientist Award 2005, DST Fast-Track 2009, Ramanujan grant award 2015 etc. 

Principal Investigator

Further information

Research interest in relevance of the project
Field of Expertise
Selected publications
Complete list of publication
Contact details

Research interest in relevance of the project

  • CADD
  • computational biology
  • cheminformatics
  • pharmacoinformatics 

Field of Expertise

  • HKS (CADD, computational biology and computational chemistry) 
  • CVS (Understanding the reactivity of High-Valent Metal Intermediates) 

Selected publications

  • Journal of Biomolecular Structure and Dynamics 31 (5), 522-537, 2013.
  • Journal of Chemical Information and Modeling 52 (11), 3088-3098, 2012.
  • Journal of chemical information and modeling 51 (3), 558-571, 2011.
  • Advanced Synthesis & Catalysis, ASAP, 2019 (https://doi.org/10.1002/adsc.201900107). 
  • Organometallics, ASAP, 2019 (DOI: 10.1021/acs.organomet.9b00131).

Contact details


Department of Chemistry
Indian Institute of Technology Guwahati
Assam, India 

Phone: +91 361 258 2323

H. Singh Shekhawat
Sanasam Ranbir Singh