DI
Dr. Md Ataul Islam
SilicoScientia Private Limited, 3BIGS Omicscore Pvt Ltd, University of Calcutta, West Bengal University of Technology, University of Manchester
0000-0001-6286-6262
About
Head of Science
SilicoScientia Private Limited
Bangalore, IN
Employment
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SilicoScientia Private Limited Head of Science2024 - Present
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3BIGS Omicscore Pvt Ltd Senior Computational Chemist2021 - 2024
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University of Manchester Newton International Fellow2019 - 2021
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University of Pretoria Post-Doctoral Researcher2013 - 2018
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RGITBT, Bharati Vidyapeeth Deemed University Assistant Professor2012 - 2013
Education
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University of Calcutta Ph.D.2009 - 2012
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West Bengal University of Technology M.Tech.2005 - 2007
Projects & Funding
Projects & funding information is unavailable.
Publications (68)
- Identification of GPI-Anchored Wall Transfer Protein 1 Modulators for Fungal Infections Through Generative AI and Physics-Based Approaches Save
- Identification of phosphodiesterase 10 A modulators for neurodegenerative and psychiatric disorders: Combination of physics-based virtual screening and machine learning approaches Save
- Identification of Novel Extracellular-Signal-Regulated Kinase 2 Inhibitors Through Machine Learning-Driven De Novo Design, Molecular Docking, and Free-Energy Perturbation Save
- Free energy perturbation-assisted identification of checkpoint kinase 1 targeted small-molecule inhibitors for cancer therapy using AI- and physics-driven molecular design Save
- Identification of Acetylcholinesterase Inhibitors Through a Pharmacophore‐Guided Deep Learning Approach for Therapeutic Applications in Alzheimer's Disease Save
- Identification of Anti-Tuberculosis Drugs Targeting DNA Gyrase A and Serine/Threonine Protein Kinase PknB: A Machine Learning-Assisted Drug-Repurposing Approach Save
- Anthracene-triazole-dicarboxylate-Based Zn(II) 2D Metal Organic Frameworks for Efficient Catalytic Carbon Dioxide Fixation into Cyclic Carbonates under Solvent-Free Condition and Theoretical Study for the Reaction Mechanism Save
- First-Principles Study of Rare Earth Based Perovskites Xalo3 (X=Sm, EU, Gd) for Optoelectronic and Renewable Energy Applications Save
- A Muconate Bridged Bipyridyl Appended Binuclear Cu(Ii) Complex Reveals Dissimilar Affinities to DNA and Bsa Protein Save
- 3d Supramolecular Assembly of Cu(Ii) Cp Containing 1d Zig-Zag Chain and 2d Paddle-Wheel Net: Crystal Structure Determination and Band Gap Study Save