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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From Natural Language to Biological Design: How Proto Powers Generative Biology

From Natural Language to Biological Design: How Proto Powers Generative Biology

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A structured program produced genetic sequences that don't exist in nature — then those sequences were built, tested in human cells, and found to...
Genesis AI - DeCAF

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BoltzMol-1, BoltzProt-1, and a New API for Small Molecule Hit Discovery and Protein Design

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Drug discovery has always been brutally slow. You pick a target, screen hundreds of thousands of compounds, watch most of them fail, spend months...
Transferable Implicit Operators (TITO).

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Conventional molecular dynamics (MD) simulations provide atomistic insights into molecular behavior but are fundamentally limited by their femtosecond time steps, making it computationally challenging...