Publications

Anwar T, Kumar P, Khan AU (2020). Modern Tools and Techniques in Computer-Aided drug Design, in: Editor(s): Mohane S. Coumar, Molecular docking for computer-aided drug design: fundamentals, techniques, resources and applications. Academic Press, Pages 1-30. Read Full Paper

Alam, P., Chaturvedi, S. K., Anwar, T., Siddiqi, M. K., Ajmal, M. R., Badr, G., … & Khan, R. H. (2015). Biophysical and molecular docking insight into the interaction of cytosine β-D arabinofuranoside with human serum albumin. Journal of Luminescence, 164, 123-130. Read Full Paper

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VibeGen

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Researchers at Mellon University and MIT introduce VibeGen, a generative AI framework for end-to-end de novo protein design conditioned on dynamics. The model generates...
Overview of CLASSIC

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IntelliFold-2: An Open Source Alternative to AlphaFold 3 With Better Accuracy and Robustness

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GPCRact

How AI Predicts Whether a Drug Actually Works—Not Just Fits

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There is a question that has quietly haunted drug discovery for decades, one that sounds almost too basic to be a problem. A molecule...
RFdiffusion3.

Transforming All-Atom De Novo Design of Protein Using RFdiffusion3

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A major collaboration led by David Baker’s group at the Institute for Protein Design (UW) introduced RFdiffusion3 (RFD3), a next-generation version of the originally...