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).


The Montelione Lab is happy to have 4 new undergraduate researchers for Spring 2024! Senior, John Ricciardi; Senior Emma Gormley; Sophomore Vivek Sinha; and Freshman, Alex White

Welcome second year postdoctoral fellow, Keith Fraga to Troy, NY! Keith is getting settled after his big move to New York in November 2023!

Welcome to Dr. Amit Gaur, Ph.D. in Molecular & Structural Biology starting as Research Scientist in our lab!

Welcome to Tiburon Benavides as the newest graduate student! Tiburon’s research is focused on bioinformatics and structural biology using the Human Cancer Pathways Protein Interaction Network .

Welcome to the new Undergraduate Research Scholars for Spring 2023. We are happy to have 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 Research Associate in our lab!

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

January 2024

Graduate students, friends, family and RPI research staff gathered on Saturday, January 27 to celebrate with PhD Candidate, Rebecca Greene-Cramer and her partner, Spencer.

The Montelione Lab is excited to welcome the next generation of brilliance and innovation here at RPI. Arriving in Spring 2024!