Principal Investigator

jdm-newDr. Jeffry D. Madura is a professor in the Department of Chemistry and Biochemistry at Duquesne University located in Pittsburgh, PA. In 2013, Dr. Madura was named the inaugural Lambert F. Minucci Endowed Chair in Engineering & Computational Sciences. He has been a member of Duquesne faculty since 1998 and was Department Chair from 2000-2010.

Dr. Madura earned a B.A. in Chemistry from Thiel College in 1980 and a Ph.D. in Physical Chemistry from Purdue University in 1985. The Ph.D. was followed by a postdoctoral fellowship in computational biophysics with Professor J. Andrew McCammon at the University of Houston. His first academic position (1990-1997) was in the Department of Chemistry at the University of South Alabama in Mobile, AL.

Dr. Madura’s research interests are in computational chemistry and biophysics, including simulations of biological processes such as protein folding and dynamics, computer-aided drug design, and modeling of organic reactions. He has published more than 100 papers in physical chemistry and chemical physics.

Dr. Madura has taught chemistry from the undergraduate to graduate level for 25 years and was the recipient of the 1997-1998 Dreyfus Teacher-Scholar Award. He is co-author to a textbook titled General Chemistry: Principles and Modern Applications as well as a co-author to the physical chemistry solutions manual, Principles of Physical Chemistry by Kuhn, Foersterling, and Waldeck. Since 2009 Dr. Madura has been the co-editor to the Journal of Molecular Graphics and Modeling. Dr. Madura is one of the primary authors of the Brownian dynamics program UHBD, which is used to calculate the diffusion-controlled rate-constants for biomolecular encounters.

He was elected as an ACS Fellow in 2011, and in 2008, Dr. Madura was inducted into the Duquesne University Office of Research Hall of Fame. In 2015 the Duquesne University Office of Research, through the awarding of the inaugural Hall of Fame Gold Card, recognized him for his research. He also received the Bayer School of Natural and Environmental Sciences and the Duquesne University Presidential Award for Excellence in Scholarship in 2007 and the Bayer School of Natural and Environmental Sciences Award for Excellence in Service in 2004.

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Dr. Madura is an editor for the following journals:


Computational Biology & Chemistry


Journal of Molecular Graphics & Modelling