Undergraduate: Creighton University, B.S. ChemistryEmail LinkedIn ResearchGate ORCID
Heidi’s aim is to define a set of design principles for allosteric drugs. Afterwhich, she hopes to develop an in silico workflow for the rational design of allosteric drugs through a combination of molecular dynamics, quantum mechanics, and machine learning approaches.
Undergraduate: University of Portland, B.S. ChemistryEmail LinkedIn Github ResearchGate ORCID
Guilian’s interests lie in developing open source computational tools for chemical data-mining and automation. He is currently developing new approaches to connect the results of quantum chemical calculations with multivariate statistical models of catalytic reactions.
Undergraduate: IIT Bombay, B.S.(hons) Chemistry
Master’s: University of Oxford, MSc in Theoretical and Computational Chemistry (with Prof. Fernanda Duarte)
Shree’s interest lies in utilizing computational tools to achieve improved predictions of molecular properties. Currently, she works on collaborative projects with NREL and multiple python projects within members of the group.
|Name||Role in the lab||Where are they now?|
|Ruchuta Ardkhean||Graduate Student||Lecturer, HRH Princess Chulabhorn College of Medical Science, Thailand|
|David Ascough||Graduate Student||Emerald Cloud Labs, San Francisco|
|Wilian Cortopassi||Graduate Student||Novartis, San Francisco|
|Fernanda Duarte||Postdoctoral Associate||Associate Professor, University of Oxford|
|Yanfei Guan||Postdoctoral Associate||Pfizer, Connecticut|
|Sami Jaffar||Graduate Student||Navigant , London|
|Kelvin Jackson||Graduate Student||Prytania Solutions, London|
|Kiran Kumar||Graduate Student||Johnson & Johnson, Philadelphia|
|Nhu Nguyen||Postdoctoral Associate|
|Qian Peng||Postdoctoral Associate||Assistant Professor, Nankai University|
|Simion Robert||Graduate Student||CTO, Enzbond, Oxford|
|Bencan Tang||Postdoctoral Associate||Associate Professor, University of Nottingham, Ningbo|
|Xinglong Zhang||Graduate Student||Institute of High Performance Computing, Singapore|