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

Protpardelle: Revolutionizing Protein Design with All-Atom Generative Model

Protpardelle: Revolutionizing Protein Design with All-Atom Generative Model

0
In computational biology, the ability to predict and design protein structures with atomic precision has been a long-standing goal. Proteins, as the fundamental components...
CellAgent: A New Age of Automated Single-Cell Data Analysis

CellAgent: A New Age of Automated Single-Cell Data Analysis

0
Researchers from the AI for Science Interdisciplinary Research Center, Northwestern Polytechnical University, China, have introduced a ground-breaking tool that may change how single-cell RNA...
How PLINDER is Reshaping the Landscape of Protein-Ligand Interaction Studies for Drug Discovery

How PLINDER is Reshaping the Landscape of Protein-Ligand Interaction Studies for Drug Discovery

0
Small molecule drug design depends on protein-ligand interactions, and achieving experimental precision necessitates a wide and well-curated dataset. The scarcity of current datasets makes...
Language Models and Chemistry: Accelerating the Path to Novel Therapeutics

Language Models and Chemistry: Accelerating the Path to Novel Therapeutics

0
In recent years, the integration of artificial intelligence (AI) and machine learning (ML) into various scientific domains has significantly advanced, and chemistry is no...
ProBASS: A Game-Changer in Predicting Mutation Impact on Protein Interactions

ProBASS: A Game-changer in Predicting Mutation Impact on Protein Interactions

0
Researchers from the Department of Biological Chemistry at Hebrew University, Jerusalem, and the Department of Pharmaceutical Chemistry at the University of California, San Francisco,...