News

May 28, 2026
David gave the keynote presentation Metaphors in Protein Motion at the conference Metaphors of Life: From Science to Text, hosted online by “Ion Ionescu de la Brad” Iași University of Life Sciences, Romania.

May 16, 2026
Congratulations to Liliia for graduating with her B.S.! We wish her the best of luck in her Ph.D. program.

May 12, 2026
David chaired a session and presented ML Mapping of GPCR Intracellular Pocket Conformations to Multidimensional Pharmacological Efficacy at the Biophysics of Membrane Reactions in the Brain conference in Bucharest, Romania.

April 16, 2026
Congratulations, Joseph, on your successful Ph.D. thesis defense!

April 13, 2026
Congratulations, Ella, on your successful Ph.D. thesis defense!

November 15, 2025
David was invited to present Computational Molecular Pharmacology at the Center for Biocatalysis and Bioprocessing Annual Conference at the University of Iowa (Coralville, IA).

September 1, 2025
Welcome to our RES-MATCH students Fatih and Fatimah!

August 12, 2025
Congratulations to Talha for winning the Welcome Week Student Poster competition (Graduate)!

May 30, 2025
David presented AI: Drugs that send the right chemical messages at ShapeShift.

May 20, 2025
David gave an invited talk, ML Mapping from GPCR Conformations to Multidimensional Pharmacology, at the 4th GPCRs-Targeted Drug Discovery Summit in Cambridge, MA.

April 4, 2025
David gave a contributed talk, Machine learning maps intracellular pocket conformations to multidimensional signaling efficacy, at the Midwest AI for Drug Discovery and Development Workshop at the University of Chicago.

March 17, 2025
David presented Computational Molecular Pharmacology in the Department of Pharmacology Seminar Series at Northwestern University Feinberg School of Medicine.

February 26, 2025
Congratulations, Cookie, on your successful Ph.D. thesis defense!

December 2, 2024
David was invited to present Computational Molecular Pharmacology at RTI International.

November 26, 2024
David presented the seminar Computational Molecular Pharmacology at the Duke University Department of Chemistry, where he met with Nobel laureate Robert Lefkowitz.

September 16, 2024
Welcome to our new AI & ML engineer Vigneshwaran!

September 4, 2024
Welcome to our new student Michal!

August 14, 2024
Congratulations to David for winning the Welcome Week Student Poster competition (Undergraduate)!

August 14, 2024
Biagon Inc. featured in an Illinois Tech News Article and the IIT Research magazine.

July 25, 2024
David presented Bayesian Regression Links Biochemical and Cellular Efficacy of the Coronavirus Main Protease, work by Van La (Sophie) in collaboration with Lulu Kang, at PyData Chicago.

June 24, 2024
Welcome to our new student Talha!

May 16, 2024
David presented Linking Biochemical and Cellular Efficacy of the Coronavirus Main Protease at the ASAP (AI-driven Structure-enabled Antiviral Platform) Open Science Forum.

April 25, 2024
Congratulations to our Chemistry department awardees Ella (Kilpatrick Fellowship), David (Senior Undergraduate Award), and Joseph (Teaching Assistant)!

April 19, 2024
Congratulations to the Biagon team, including David, Joseph, and Jim, for winning second prize in the Kaplan Pitch Tank!

April 16, 2024
Congratulations on your Ph.D. thesis defense, Sophie!

January 2024
Welcome new students Aiman and Brandon!

December 18, 2023
David presented Learned Mappings for Targeted Free Energy Perturbation between Peptide Conformations at the 125th Statistical Mechanics Conference at Rutgers University (New Brunswick, NJ).

November 13, 2023
David gave a seminar at the University of Illinois Chicago (host: Ao Ma).

Fall 2023
Welcome new students Anna, Beomjong, Luis, Poshan, Pranami, Urvi, and Ryan!

May 17, 2023
David presented about enzyme kinetics of the MERS coronavirus main protease to the ASAP (AI-driven Structure-enabled Antiviral Platform) consortium.

May 12, 2023
David gave an invited talk, Binding pose prediction using absolute binding free energy calculations, at Free Energy Methods in Drug Design in Cambridge, MA.

May 2, 2023
Stanley featured in an Illinois Tech News Article.

April 27, 2023
Congratulations, David, for winning the Kilpatrick Scholarship for the best undergraduate chemistry student.

April 27, 2023
Congratulations, Stanley, for winning the Undergraduate Karl Menger Award for the best undergraduate applied mathematics student.

April 3, 2023
Congratulations, Stanley, for being a awarded a fellowship by the NSF Graduate Research Fellowship Program!

February 20, 2023
David presented H-bonds in Crambin: Coherence in an α-helix, work with Stanley Nicholson and Bob Eisenberg, at the 10th Asia-Pacific Association of Theoretical and Computational Chemistry conference (APATCC-10) in Quy Nhon, Vietnam.

January 9, 2023
Welcome new students Barien, David, Kevin, and Thitipun!

August 19, 2022
Congratulations, Stanley, for winning the Illinois Tech Outstanding Graduate Research Award from the College of Computing at the inaugural Illinois Tech Welcome Week Student Research Poster Day!

Spring 2022
Congratulations, Jim, for winning Second Prize at the Kilpatrick Lecture Symposium!

March 14, 2022
We presented an international workshop on modeling biological macromolecules at Simon Bolivar University in Barranquilla, Colombia</a>.

March 3, 2022
Welcome to Qi, who is finishing up his Ph.D. with us.

January 10, 2021
Welcome to Jennifier and Sivanujan, our new Ph.D. students!

August 20, 2021
Congratulations, Ella, for being awarded the 2nd best chemistry poster at the Biology, Chemistry, Food Science and Nutrition, and Physics Departments Poster Day!

July 2, 2021
We organized an international workshop on modeling biological macromolecules.

June 15, 2021
David presents implicit ligand theory at the 2020 Workshop on Free Energy Methods in Drug Design.

December 7, 2020
David presents implicit ligand theory for the Theoretical and Computational Biophysics Group at UIUC.

August 24, 2020
Welcome to Jaycee, Joseph, Sophie, and Ella, our new Ph.D. students!

July 16, 2020
Oscar Juarez, Karina Tuz, and David file a patent for CROWNase, a potential COVID-19 treatment. The technology transfer office has made a nonconfidential summary available.

June 1, 2020
David designated as the inaugural Robert E. Frey, Jr. Term Chair in Chemistry.
This endowment will help the CCB Lab to pursue research applying machine learning to chemistry.

April 6, 2020
Congratulations, Jim, on passing your Ph.D. qualifying exam!

March 1, 2020
Congratulations, Soohaeng, on your promotion to Research Assistant Professor!

December 29, 2019
Congratulations, Bing, on your postdoctoral position at the NIH!

September 11, 2019
David selected as one of 40 under 40 Chicago Scientists by Halo Cures.

April 16, 2019
David honored with a Junior Faculty Award.

April 5, 2018
David awarded tenure and promotion.

December 12, 2018
David honored with a College of Science Dean’s Excellence Award.

August 16, 2018
We were awarded a NIH R01 grant for fast binding free energy calculations.
The research groups of David Minh, assistant professor of chemistry, and Oscar Juarez, assistant professor of biology, have received an award from the National Institutes of Health (NIH/1R01GM127712-01A1) entitled “Entropy for End-Point and FFT-Based Binding Free Energy Calculations.”

April 12, 2018
We published a new version of implicit ligand theory for relative binding free energies.
David Minh, assistant professor of chemistry, and Trung Hai Nguyen, senior research associate, recently published an article, “Implicit Ligand Theory for Relative Binding Free Energies,” in The Journal of Chemical Physics.

January 30, 2018
David named the Associate Director of the Center for Interdisciplinary Scientific Computation.
David Minh, assistant professor of chemistry, has been named associate director of the Center for Interdisciplinary Scientific Computation (CISC) at Illinois Tech.

September 26, 2017
We published a method for using constrained dynamics in equilibrium simulation.
Much like weather forecast models predict the trajectory of a hurricane, computational tools known as molecular dynamics simulations predict the microscopic motion of an interacting system of molecules.

July 18, 2017
We discovered a substrate binding site in an important bacterial ion pump.
The research groups of Oscar Juarez, assistant professor of biology, and David Minh, assistant professor of chemistry, have discovered a new structural motif in an essential Vibrio cholerae enzyme that could lead to important drug development.

May 10, 2017
Chen selected as a “CBSB2017 Outstanding Young Researcher”.
Chen Li, a Ph.D. candidate in chemistry working with Assistant Professor David Minh, was selected as a “CBSB2017 Outstanding Young Researcher” for the workshop “From Computational Biophysics to Systems Biology (CBSB2017)” at the University of Cincinnati.

October 20, 2015
We were awarded a NIH grant on implicit ligand theory.

August 13, 2015
David to help host the Midwest Enzyme Chemistry Conference at IIT.
The College of Science and Department of Chemistry will host the 35th Midwest Enzyme Chemistry Conference (MECC) on Saturday, September 12, 2015, in the Hermann Hall Ballroom.

April 28, 2015
John awarded a Undergraduate Summer Research Stipend. Congratulations!

October 31, 2014
Our work was featured in International Science Grid This week.