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

D&D-seq

How D&D-seq Is Making Hard-to-Detect DNA-Protein Interactions Visible

0
If you've ever tried to figure out exactly where a transcription factor sits down on the genome inside a single cell, you know it's...
BioReason-Pro

BioReason-Pro Allows Structured Reasoning for Protein Function Predictions

0
A team of scientists from the University Health Network - Canada's Hospital, Arc Institute and Vector Institute developed BioReason-Pro to tackle one of the...
PPIscreenML

PPIscreenML: A Rigorous Machine Learning Approach to Screening Protein-Protein Interactions with AF2

0
Every second, thousands of proteins inside your cells are bumping into each other, forming fleeting partnerships, and splitting apart again. These protein-protein interactions (PPIs)...
FrustrAI-Seq

Meet FrustrAI-Seq: Proteome-Wide Frustration Profiling Without Structural Inputs

0
Proteins are remarkable molecules. They fold, bend, bind, and catalyze, all while balancing an internal tension that most biology textbooks barely mention. That tension...
PandaClaw

Insilico Medicine’s PandaClaw: An Agentic AI for Therapeutic Discovery

0
For decades, the bottleneck in drug discovery wasn't the biology; it was the translation. Getting from a disease hypothesis to a viable therapeutic target...