Âé¶¹APP

Administration

Maggie Cheng

Director, Center for Interdisciplinary Scientific Computation
Professor of Applied Mathematics, IIT

David Minh

David Minh is the Associate Director of the Center for Interdisciplinary Scientific Computation (CISC) and an Assistant Professor of Chemistry. His research focuses on developing and applying computational methods for studying noncovalent interactions between proteins and small organic molecules. These types of interactions are essential for biological functions such as signal transduction and to the mechanism of most pharmaceuticals. His group is developing new algorithms to predict the strength of these interactions based on implicit ligand theory, a new theoretical framework for making these predictions that he published in 2012.

Minh’s research is funded by the National Institutes of Health. His group actively collaborates with several groups at IIT and at other U.S. institutions. Minh received his Ph.D. in physical chemistry from University of California, San Diego, and his B.A. in chemistry from University of California, Berkeley.

dminh@illinoistech.edu

A snapshot from a molecular dynamics simulation of the transmembrane domains in the Na+-pumping NADH dehydrogenase. Molecular dynamics simulations are used to generate hypotheses about how molecular interactions affect function. This simulation was done for a collaboration with Dr. Oscar Juarez.

Conformations of a small molecule binding to a rigid protein structure observed in a series of simulations where the interaction strength is progressively increased.

A cross-section of interaction energies between fixed configurations of benzene and T4 lysozyme, calculated using a novel method based on the Fast Fourier Transform.

Aleksei Sorokin

Aleksei Sorokin is the Administrative Assistant for CISC and a second year undergraduate student at IIT. He is studying applied math and computer science with hope of specializing in development of computational software. His past research experience involves translating, developing, and parallelizing various mathematical programs.

Feel free to contact me with any questions about the website, events, or anything CISC asorokin@hawk.illinoistech.edu