http://www.biorxiv.org/content/early/2017/08/15/176594
Current research highlight: superimposed snapshots from the unbinding pathways of the biotin-streptavidin system (
one of the strongest known non-covalent interactions in nature)
 from all-atom simulations.  Using new enhanced sampling algorithms, we obtain full unbinding pathways, kinetics and effect of streptavidin mutations on the kinetics of unbinding with full atomistic resolution. 
Reference: Tiwary, bioRxiv (2017)

The Tiwary group does inter-disciplinary theoretical and computational research to model and predict thermodynamics, dynamics and their interplay in complex real-world systems, relevant to pharmaceutical, chemical and materials sciences. A common theme across these diverse systems is that many of these are plagued with hard to model rare events. To tackle these 
we develop and use theoretical and computational tools drawing primarily from equilibrium and non-equilibrium statistical mechanics, as well as applied math and recent developments in deep learning/artificial intelligence.

Please see the research page to learn details of the group's research interests. 



ABOUT PRATYUSH TIWARY:

I am an Assistant Professor at the University of Maryland, College Park. I have a joint position in the Department of Chemistry and Biochemistry and the Institute for Physical Science and Technology. I am also an affiliated faculty member of the Chemical Physics program and the Biophysics program.

I am a theoretical and computational chemist interested broadly in kinetics and its interplay with thermodynamics in biological and material systems plagued with slow to sample rare events. I received my PhD and MS in Materials Science from Caltech, working with Axel van de Walle, and finished my undergraduate degree in Metallurgical Engineering at the Indian Institute of Technology, Banaras Hindu University, Varanasi. Prior to starting my tenure-track position, I have been a postdoc in the Department of Chemistry at Columbia University, where I worked with Bruce Berne, and at the Department of Chemistry & Applied Biosciences at ETH Zurich, where I worked with Michele Parrinello.

You can see my detailed CV here and learn more about my group and my research on these webpages. 

This fall (2017) I am co-organizing the Informal Statistical Physics seminar series with Chris Jarzynski. Please email me if you have suggestions for speakers!




NEWS:

          CONFERENCE ANNOUNCEMENT (December 7-10 2017, Agra, India):  Chris Jarzynski (Maryland), K Srihari (Kanpur), Nisanth Nair (Kanpur) and Pratyush are 
            organizing a 3-day international conference on RECENT ADVANCES IN MODELING RARE EVENTS (RARE) in Agra, India. Please visit the conference website for further details, 
            and also "like" us on Facebook 
iitk.ac.in/chm/rare2017
  • September 8: Sun-Ting Tsai, 1st year PhD student in Physics at UMD, joins us for research this fall. Welcome to the group, Sun-Ting!
  • September 6: Pablo Bravo Collado, undergraduate student in Biophysics, visiting from Pontificia Universidad Católica de Chile has joined us for the fall semester of 2017. Welcome  to the group, Pablo! 
  • August 31: Yihang Wang, 1st year PhD student in the UMD Biophysics Program, joins us for lab rotation this fall. Welcome to the group, Yihang!
  • August 18: We are grateful to Schrödinger for giving our group access to their suite of software. Their support will go a long way in helping the group perform cutting edge biomolecular research.
  • August 15: New pre-print studying the dynamics of biotin-streptavidin unbinding is now available on 
    bioRxiv. First publication from Tiwary group!
  • August 1: João Marcelo Ribeiro (Ph.D. (Chemistry), Florida International University) has joined the group as a postdoctoral research associate starting August 2017. Welcome João!

https://twitter.com/tiwarylab