Monday, January 5, 2026

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

CRISPR-HAWK

CRISPR-HAWK: Improving CRISPR with Haplotype-Aware Guide Design

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CRISPR-HAWK is a guide-RNA design tool created by researchers from the University of Verona, Harvard Medical School, and the Broad Institute to account for...
R2G2

R2G2: Letting Bioconductor Fly in Galaxy Workflows

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Researchers from the Center for Computational Life Sciences at the Cleveland Clinic introduce R2G2, a Python-R framework that automates the integration of R and...
BoltzGen

Designing Protein Binders with BoltzGen: A Unified Generative Approach

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Researchers at MIT introduce an all-atom generative model, BoltzGen. The model incorporates a design specification language that allows researchers to control constraints like covalent...
DeepSomatic

DeepSomatic: Redefining Somatic Variant Detection in the Genomic Sequencing Era

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Scientists at UC Santa Cruz, Google, the National Institutes of Health, and partner institutes have developed DeepSomatic, a deep-learning tool that detects cancer-related DNA...
Overview of the DynaMate framework.

Towards Fully Autonomous Molecular Dynamics: The DynaMate Framework

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Researchers from École Polytechnique Fédérale de Lausanne (EPFL) and the National Centre of Competence in Research (NCCR) Catalysis, Switzerland, introduced DynaMate, an autonomous AI system that...