Md Ataul Islam

18PUBLICATIONS
13CO-AUTHORS
Polymers and plasticsMolecular targetsGene and molecular therapyBiomolecular modelling and designHaematological tumours
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Publications (18)

|Jun 12, 2026
Identification of GPI-Anchored Wall Transfer Protein 1 Modulators for Fungal Infections Through Generative AI and Physics-Based Approaches.

|Feb 27, 2026
Identification of Novel Extracellular-Signal-Regulated Kinase 2 Inhibitors Through Machine Learning-Driven De Novo Design, Molecular Docking, and Free-Energy Perturbation.

Ibrahim A Alsarra, Mahima Sudhir Kolpe, Md Ataul Islam

|Dec 27, 2024
Identification of Anti-Tuberculosis Drugs Targeting DNA Gyrase A and Serine/Threonine Protein Kinase PknB: A Machine Learning-Assisted Drug-Repurposing Approach.

Dongwoo Lee, Md Ataul Islam, Sathishkumar Natarajan

|Sep 26, 2022
Design of a Structurally Novel Multipotent Drug Candidate by the Scaffold Architecture Technique for ACE-II, NSP15, and M<sup>pro</sup> Protein Inhibition: Identification and Isolation of a Natural Product to Prevent the Severity of Future Variants of Covid 19 and a Colorectal Anticancer Drug.

Sourav Pakrashy, Prakash K Mandal, Surya Kanta Dey

|Sep 23, 2022
Identification of Novel Ribonucleotide Reductase Inhibitors for Therapeutic Application in Bile Tract Cancer: An Advanced Pharmacoinformatics Study.

Md Ataul Islam, Mayuri Makarand Barshetty, Sridhar Srinivasan

|Aug 26, 2022
Identification of Potential Cytochrome P450 3A5 Inhibitors: An Extensive Virtual Screening through Molecular Docking, Negative Image-Based Screening, Machine Learning and Molecular Dynamics Simulation Studies.

Md Ataul Islam, Dawood Babu Dudekula, V P Subramanyam Rallabandi

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Frequent Collaborators

4 joint publications

Sathishkumar Natarajan

3 joint publications

Rupesh V Chikhale

3 joint publications

Junhyung Park

2 joint publications

Hoyong Chung