G
Gourav Chakraborty Data-verified
Affiliation confirmed via AI analysis of OpenAlex, ORCID, and web sources.
Researcher
faculty
gouravchakraborty3690@gmail.com
3 h-index
17 pubs
22 cited
Research Areas
Links
Biography and Research Information
OverviewAI-generated summary
Gourav Chakraborty's research investigates molecular dynamics simulations, protein binding, and the design of novel therapeutic agents. He has published work exploring the molecular basis of protein-protein interactions, such as the interaction between 14-3-3 proteins and alpha-synuclein, and the modulation of 14-3-3η/Parkin interaction. Chakraborty also studies computational approaches to understand drug resistance in bacteria, including simulating the binding of antitubercular agents like delamanid and pretomanid to mycobacterial proteins and investigating bedaquiline resistance mechanisms associated with specific gene mutations.
His work also extends to nanoparticle-based drug delivery systems and the optimization of material properties using molecular dynamics and machine learning. Collaborations include work with Viswanathan Rajagopalan, Sankalpa Chakraborty, Olivia Sloan, and Bryce Dickerson, with whom he has co-authored multiple publications. Chakraborty's h-index is 3 with a total of 17 publications and 22 citations.
Metrics
- h-index: 3
- Publications: 17
- Citations: 22
Selected Publications
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Abstract 4368964: LncRNA Regulated by Triiodothyronine Confers Cardioprotection in High-Fat-Diet-Induced Atherosclerosis-Driven Myocardial Infarction (2025)
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Noncoding and coding mechanisms of aging-related heart failure with preserved ejection fraction associated with thyroid dysfunction (2025)
Collaboration Network
Top Collaborators
Niladri Patra
Indian Institute of Technology Dhanbad (IN)
16 shared publications
- Elucidating the Molecular Basis of 14–3–3 Interaction with α-Synuclein: Insights from Molecular Dynamics Simulations and the Design of a Novel Protein–Protein Interaction Inhibitor
- Rationally designed porous self-assembled nanoparticles for combinational chemo-photodynamic therapy
- Optimizing oil detachment from silica surfaces using gemini surfactants and functionalized silica nanoparticles: a combined molecular dynamics and machine learning approach
- Mechanistic Insights into Ligand-Mediated Modulation of 14-3-3η/Parkin Interaction through Molecular Dynamics and Enhanced Sampling Simulations
- <i>In silico</i> structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in <i>atpE</i> , <i>mmpR5</i> , and <i>pepQ</i>
Showing 5 of 16 shared publications
Keka Ojha
Indian Institute of Technology Dhanbad (IN)
3 shared publications
- Optimizing oil detachment from silica surfaces using gemini surfactants and functionalized silica nanoparticles: a combined molecular dynamics and machine learning approach
- EFFECT OF SPACER GROUP VARIATION OF GEMINI SURFACTANTS ON THE DETACHMENT OF OIL FROM SILICA SURFACES WITH DIFFERENT HYDROPHOBICITY: A MOLECULAR DYNAMICS STUDY
- Effect of Spacer Group Variation of Gemini Surfactants on the Detachment of Oil from Silica Surfaces with Different Hydrophobicity: A Molecular Dynamics Study
Ajay Mandal
Indian Institute of Technology Dhanbad (IN)
3 shared publications
- Optimizing oil detachment from silica surfaces using gemini surfactants and functionalized silica nanoparticles: a combined molecular dynamics and machine learning approach
- EFFECT OF SPACER GROUP VARIATION OF GEMINI SURFACTANTS ON THE DETACHMENT OF OIL FROM SILICA SURFACES WITH DIFFERENT HYDROPHOBICITY: A MOLECULAR DYNAMICS STUDY
- Effect of Spacer Group Variation of Gemini Surfactants on the Detachment of Oil from Silica Surfaces with Different Hydrophobicity: A Molecular Dynamics Study
Sankalpa Chakraborty
3 shared publications
In database
- Noncoding and coding mechanisms of aging-related heart failure with preserved ejection fraction associated with thyroid dysfunction
- Abstract 4368964: LncRNA Regulated by Triiodothyronine Confers Cardioprotection in High-Fat-Diet-Induced Atherosclerosis-Driven Myocardial Infarction
- Noncoding and coding mechanisms of aging heart failure with preserved ejection fraction with thyroid dysfunction.
Viswanathan Rajagopalan
3 shared publications
In database
- Noncoding and coding mechanisms of aging-related heart failure with preserved ejection fraction associated with thyroid dysfunction
- Abstract 4368964: LncRNA Regulated by Triiodothyronine Confers Cardioprotection in High-Fat-Diet-Induced Atherosclerosis-Driven Myocardial Infarction
- Noncoding and coding mechanisms of aging heart failure with preserved ejection fraction with thyroid dysfunction.
Ambily Nath I.V
2 shared publications
- <i>In silico</i> structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in <i>atpE</i> , <i>mmpR5</i> , and <i>pepQ</i>
- In silico structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in atpE, mmpR5, and pepQ
Jigar Sheth
2 shared publications
- <i>In silico</i> structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in <i>atpE</i> , <i>mmpR5</i> , and <i>pepQ</i>
- In silico structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in atpE, mmpR5, and pepQ
Mahima Kori
2 shared publications
- <i>In silico</i> structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in <i>atpE</i> , <i>mmpR5</i> , and <i>pepQ</i>
- In silico structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in atpE, mmpR5, and pepQ
Mukta Sharma
2 shared publications
- <i>In silico</i> structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in <i>atpE</i> , <i>mmpR5</i> , and <i>pepQ</i>
- In silico structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in atpE, mmpR5, and pepQ
Avlokita Tiwari
2 shared publications
- <i>In silico</i> structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in <i>atpE</i> , <i>mmpR5</i> , and <i>pepQ</i>
- Computational structure-guided approach to simulate delamanid and pretomanid binding to mycobacterial F420 redox cycling proteins: identification of key determinants of resistance
Olivia Sloan
2 shared publications
In database
- Noncoding and coding mechanisms of aging-related heart failure with preserved ejection fraction associated with thyroid dysfunction
- Noncoding and coding mechanisms of aging heart failure with preserved ejection fraction with thyroid dysfunction.
Bryce Dickerson
2 shared publications
In database
- Noncoding and coding mechanisms of aging-related heart failure with preserved ejection fraction associated with thyroid dysfunction
- Noncoding and coding mechanisms of aging heart failure with preserved ejection fraction with thyroid dysfunction.
Shuang Li
2 shared publications
- Noncoding and coding mechanisms of aging-related heart failure with preserved ejection fraction associated with thyroid dysfunction
- Noncoding and coding mechanisms of aging heart failure with preserved ejection fraction with thyroid dysfunction.
Curren Bounds
2 shared publications
In database
- Noncoding and coding mechanisms of aging-related heart failure with preserved ejection fraction associated with thyroid dysfunction
- Noncoding and coding mechanisms of aging heart failure with preserved ejection fraction with thyroid dysfunction.
Sophia Lemus
University of North Carolina at Chapel Hill
2 shared publications
In database
- Noncoding and coding mechanisms of aging-related heart failure with preserved ejection fraction associated with thyroid dysfunction
- Noncoding and coding mechanisms of aging heart failure with preserved ejection fraction with thyroid dysfunction.
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