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!

Biomolecular NMR: Advanced tools, Machine learning Workshop was held in Gothenburg, Sweden September 25 – 29, 2023
October 2023

The Montelione Lab was represented by Theresa Ramelot, Sr. Staff Scientist and Laura Spaman, PhD Candidate at the 2023 Biomolecular NMR: Advanced tool, Machine Learning. This years workshop was hosted by the Swedish NMR Center at the University of Gothenburg.

Theresa and Laura attended lectures, participated in discussions and practiced hand-on exercises taught by leading researchers in the field. The workshop focused on practical applications of machine learning to projects involving protein characterization using NMR. We are excited to utilize and implement these ideas in our future work!