RPI Structural Bioinformatics Lab

The Rensselaer Polytechnic Institute Structural Bioinformatics Laboratory pursues dynamic structure – function studies of proteins. The lab combines computational methods with biophysical data to elucidate mechanisms of biological processes.

Proposed mechanism by which FDA-approved hepatitis C virus (HCV) drugs synergize with the SARS-CoV-2 antiviral remdesivir

Research Highlights

Assessment of prediction methods for protein structures determined by NMR in CASP14: Impact of AlphaFold2. PROTEINS 2021. Article

Hepatitis C virus drugs inhibit SARS-CoV-2 PLpro and act synergistically with the antiviral remdesivir. Cell Reports 2021

Article; Press Release

Comparison of (left) backbone and (right) sidechain structures of NMR (green) and AlphaFold2 model (blue) of CASP target T1055.


Congratulations to Ms. Jingzhou Hao, accepted to the Graduate Program in Molecular Biophysics at Johns Hopkins University.

Congratulations to Nobuyasu Koga, Rie Koga, Gaohua Liu, Javier Castellanos, and David Baker on publication our joint study Role of backbone strain in de novo design of complex α/β protein structures. Nature Communications 2021.

Article; Press Release

Image of Harold Scheraga
1921 – 2020


Harold A. Scheraga

Harold was gifted with a unique combination of intensity and breadth of vision. He realized early in his career that both experimental and theoretical work would be necessary to solve the central problems of protein science, and, most unusually, he excelled in both spheres.