A Structural Bioinformatics Laboratory at Rensselaer Polytechnic Institute investigating dynamic structure – function of proteins. Our work is a combination of computational methods using biophysical data to elucidate mechanisms of biological processes.
Protein Folding and Dynamics
An Overview on the Occasion of Harold Scheraga’s 100th Birthday
Research Highlights

Harold A. Scheraga presided over the advancement of the field of protein physical chemistry with magisterial vision and legendary intensity. From the earliest, precrystallographic efforts to determine protein structure hydrodynamically, through pathbreaking experiments on protein folding. To his most recent, cutting-edge work in computational protein chemistry and protein bioinformatics. He carried out seminal work on the elucidation of the blood clotting cascade and on the structure of water.

In addition to experimental work, he pioneered the fields of theoretical protein science, protein bioinformatics, computational structure prediction, and protein molecular dynamics. All current efforts in these fields rest on the shoulders of Scheraga’s early work.

His bibliography includes almost 1400 publications, he mentored over 400 graduate students and postdoctoral fellows, and he was honored with almost every award the field, and the chemical community at large, had to offer. He was truly a giant of science.

Full text article featured in the virtual special issue of Journal of Physical Chemistry B (April 6, 2023).


Welcome to our new Undergraduate Research Scholars for Spring 2023. We are happy to have Nate Anthony, Reena Caplan, and Suren Zakian join our group.

Welcome to Ms. Kassie Hooker, Master of Science in Clinical and Translational Research Sciences, University of Cincinnati, starting as Research Project Coordinator in our lab!

Welcome to Dr. Anna De Falco, Ph.D. in Chemistry, Pontifical Catholic University, Rio de Janeiro, Brazil and Masters Degree in Public Health, starting as Postdoctoral Associate in our lab!

Welcome to Dr. Namita Dube, Ph.D. in Computational Chemistry, University of Cambridge, starting as Research Scientist in our lab!

RPI Faculty Awarded Shared Instrument Grants for 800 MHz NMR System Upgrade and Helium Recovery System.  Article.

Rebecca Greene-Cramer (left) RPI – NIGMS Fellowship Trainee and graduate student in the Montelione Lab with Dr. Maria Van Kerkhove (right) of the World Health Organization in RPI’s Center for Biotechnology and Interdisciplinary Studies, Isermann Auditorium
April 2023

Montelione lab member and the Rensselaer Polytechnic Institute NIGMS Fellowship Trainee, Rebecca Greene-Cramer recently welcomed the World Health Organization (WHO) COVID-19 Health Operations and Technical Lead, Maria D. Van Kerkhove, PhD.

Dr. Van Kerkhove was invited as a keynote speaker to RPI to discuss her experience and integral role in monitoring, surveillance, and prevention of emerging and zoonotic disease, as well as future strategies for pandemic prevention and preparedness being developed by the World Health Organization.