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Dr Shashi Kumar

vidwan id: 632808
Male

Assistant Professor, Department of Chemical Engineering
National Institute of Technology Rourkela

Expertise

  • Chemical Engineering

Publications

Total Articles 13
Books 0
Proceedings 0

Publications

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Scopus

Citations 198
h-index 4

CrossRef

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Citations 157
h-index 3
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Professional Recognition

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Community & Membership

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Bio

Computational Molecular Biology, Computational Chemistry, Machine Learning, Biological and Medicinal Chemistry, Target Drug Delivery, Cryo EM

Personal Details

  • Male
  • Assistant Professor , National Institute of Technology Rourkela
  • Rourkela
PhD
Indian Institute of Technology Kharagpur 2022
Assistant Professor Jul 2024 – Present
National Institute of Technology Rourkela | Department of Chemical Engineering

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Co-Authors (5)

Joykrishna

Prof Joykrishna Dey

Indian Institute of Technology Kharagpur

Manju

Dr Manju Verma

Motilal Nehru National Institute of Technology Allahabad

Parag Arvind

Dr Parag Arvind Deshpande

Indian Institute of Technology Jodhpur

Sai Phani Kumar

Dr Sai Phani Kumar Vangala

Indian Institute of Science Education and Research(IISER), Bhopal

Soubhik Kumar

Prof Soubhik Kumar Bhaumik

Indian Institute of Technology (Indian School of Mines), Dhanbad

Scholarly Work

Computational Insights into Non-Sulfonamide Carbonic Anhydrase Inhibitors for Disease-Specific Treatments: A Blueprint for Drug Design Development

Funding Agency: ANRF

Principal Investigator

5,304,480

2025 - Ongoing

Ongoing
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Scholarly Publications

High-Throughput Ligand Dissociation Kinetics Predictions Using Site Identification by Ligand Competitive Saturation

Open Access
Article

Unravelling the self-assembly of a novel cationic pseudo-gemini surfactant and its monomeric counterpart: interactions with DNA and BSA in aqueous medium at neutral pH

Open Access
journal-article
Authors: Dahal, Homen;Soren, Sachin;Kumar, Shashi;Dey, Joykrishna

Unravelling the self-assembly of a novel cationic pseudo-gemini surfactant and its monomeric counterpart: interactions with DNA and BSA in aqueous medium at neutral pH

Open Access
Article

Efficient proton shuttle makes SazCA an excellent CO2 hydration enzyme

Open Access
Article

Unravelling and Quantifying the Biophysical– Biochemical Descriptors Governing Protein Thermostability by Machine Learning

Open Access
Article
Authors: Kumar S.;Duggineni V.K.;Singhania V.;Misra S.P.;Deshpande P.A.

Computational analysis of the effect of Gly100Ala mutation on the thermostability of SazCA

Open Access
Article

Enzyme-substrate interactions in orotate-mimetic OPRT inhibitor complexes: a QM/MM analysis

Open Access
Article

Molecular dynamics simulations identify the regions of compromised thermostability in SazCA

Open Access
Article