Wednesday, July 16, 2025

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

Must Read

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From Boltz-1 to Boltz-2: Did We Finally Bridge the Gap Between Structure and Affinity?

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In modern biology, accurately simulating biomolecular interactions is a major difficulty. Our capacity to predict biomolecular complex structures has significantly improved with recent developments...
D-I-TASSER Outperforms AlphaFold? A New Frontier in Protein Structure Modeling

D-I-TASSER Outperforms AlphaFold? A New Frontier in Protein Structure Modeling

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The requirement and utility of conventional force field-based folding simulations have been called into question by the overwhelming success of deep learning techniques in...
Unlocking Biomolecular Secrets with AF3Score: A Leap Forward in Structural Evaluation

Unlocking Biomolecular Secrets with AF3Score: A Leap Forward in Structural Evaluation

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Researchers from Changping Laboratory in Beijing introduced AF3Score, a novel adaptation of AlphaFold3 designed to evaluate biomolecular structures with unprecedented accuracy. This innovation addresses...
Overlapping Genes, Unfolding Insights: Synthetic Biology Meets AI

Overlapping Genes, Unfolding Insights: Synthetic Biology Meets AI

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Given that the sharing of codon nucleotides dramatically reduces the size of protein sequences, viruses in nature often generate overlapping genes (OLG) in alternate...
PhysDock: A New Era in Protein-Ligand Docking with AI and Physics

PhysDock: A New Era in Protein-Ligand Docking with AI and Physics

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In a breakthrough that could transform drug discovery, a team of researchers from ShanghaiTech University has introduced PhysDock, a novel AI-powered model designed to...