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

Designer Miniproteins: New Frontier in GPCR-Targeted Drug Development

Designer Miniproteins: New Frontier in GPCR-Targeted Drug Development

0
G protein-coupled receptors (GPCRs) are essential membrane proteins with dynamic conformations that are also major targets for drug development and discovery. However, designing protein...
Meet AgentRxiv: A Collaborative Framework for AI Research Agents to Accelerate Discovery

Meet AgentRxiv: A Collaborative Framework for AI Research Agents to Accelerate Discovery

0
Hundreds of scientists come together through collaborative efforts to accomplish a shared goal during scientific discovery processes. Current workflows generate research independently, yet they...
MolAI: The Deep Learning Model Transforming Molecular Descriptor Generation

MolAI: The Deep Learning Model Transforming Molecular Descriptor Generation

0
Recent years have witnessed significant advancements in the fields of artificial intelligence (AI) and machine learning (ML), catalyzing a revolution in cheminformatics and drug...
Dyna-1: Unraveling Protein Dynamics with Deep Learning and NMR Data

Dyna-1: Unraveling Protein Dynamics with Deep Learning and NMR Data

0
There are more than 100 NMR relaxation datasets in the Biological Magnetic Resonance Data Bank (BMRB), which show an observable motion in µs-ms. NMR...
A New Roadmap for Precision Medicine: Overcoming Challenges with Post-Genomic Data

A New Roadmap for Precision Medicine: Overcoming Challenges with Post-Genomic Data

0
Advancements in precision medicine have long promised a future where treatments are tailored to individual genetic profiles. However, despite significant progress in genomics, the...