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 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!

Reena Caplan standing with her poster
“Structural Determination of Integral Protein MipA”.
August 2023

RPI’s 2023 Chemistry – Summer Undergrad Research Program (C-SURP) requires students work in a research lab throughout the summer. The experience culminates in an open forum poster session where students are given the opportunity to formally present their work to faculty, staff, and fellow students in the Chemistry and Chemical Biology department.

Reena represented the Montelione Lab at the 2023 C-SURP Poster Session on August 29th. She plans to continue training and working on this project during the upcoming semester. Great job, Reena!