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Dr. Dibyajyoti Maity

Postdoctoral Fellow, Computational Soft Materials Lab

New York, NY

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Research Interests

  • AI in Healthcare
  • Bioinformatics
  • Biomolecular Simulations
  • Computational Biology
  • Computational Biophysics
  • Computational Chemistry
  • Molecular Dynamics
  • Structural Bioinformatics
  • Systems Biology


DMAbout Me

I am a computational biologist. I use molecular dynamics (MD) simulations to understand how protein molecules perform many intricate functions in living things. After analyzing numerous MD simulations, I developed a Python package, MD DaVis (https://github.com/djmaity/md-davis), to automate the process. It can create interactive plots and visualizations, alleviating the need for multiple static plots. Check out my profile below to learn more about me and my work.

Experience

Postdoctoral Fellow, Computational Soft Materials Lab

Machine learning for peptide design


Research Associate, Computational and Data Sciences (CDS)

Development of gold-standard medical imaging datasets for AI in healthcare


Apr 2022 - May 2023

Applied Data Scientist, Anumana

AI applications for predicting cardiac diseases from electrocardiograms.


Publications

MD DaVis: Interactive Data Visualization of Protein Molecular Dynamics

Dibyajyoti Maity and Debnath Pal
Bioinformatics vol. 38 (12), p. 3299-3301; https://doi.org/10.1093/bioinformatics/btac314


Two Consecutive Prolines in the Fusion Peptide of Murine β-Coronavirus Spike Protein Predominantly Determine Fusogenicity and May Be Essential but Not Sufficient to Cause Demyelination

Abass Alao Safiriyu, Manmeet Singh, Abhinoy Kishore, Vaishali Mulchandani, Dibyajyoti Maity, ...
Viruses, vol. 14, no. 4, p. 834, Apr. 2022, https://doi.org/10.3390/v14040834


Molecular Dynamics of Hemoglobin Reveals Structural Alterations and Explains the Interactions Driving Sickle Cell Fibrillation

Dibyajyoti Maity and Debnath Pal
J. Phys. Chem. B, vol. 125, no. 35, pp. 9921–9933, Sep. 2021, https://doi.org/10.1021/acs.jpcb.1c01684


Aggregation of M3 (E376D) Variant of alpha1-antitrypsin

Arif Bashir, Younis Hazari, Debnath Pal, Dibyajyoti Maity, Samirul Bashir, ...
Scientific Reports, vol. 10, no. 1, Art. no. 1, May 2020, https://doi.org/10.1038/s41598-020-64860-1


Structural Analysis of Glutathionyl Hemoglobin Using Native Mass Spectrometry

Monita Muralidharan, Amrita Mitra, Dibyajyoti Maity, Debnath Pal, and Amit Kumar Mandal
Journal of Structural Biology, vol. 208, no. 3, Dec. 2019, https://doi.org/10.1016/j.jsb.2019.09.003


A Proline Insertion-deletion in the Spike Glycoprotein Fusion Peptide of Mouse Hepatitis Virus Strongly Alters Neuropathology

Manmeet Singh, Abhinoy Kishore, Dibyajyoti Maity, Punnepalli Sunanda, Bankala Krishnarjuna, ...
Journal of Biological Chemistry, vol. 294, no. 20, pp. 8064–8087, May 2019, https://doi.org/10.1074/jbc.RA118.004418


Molecular Insights of Inhibition in Sickle Hemoglobin Polymerization upon Glutathionylation: Hydrogen/Deuterium Exchange Mass Spectrometry and Molecular Dynamics Simulation-based Approach

Rajdeep Das, Amrita Mitra, Gopa Mitra, Dibyajyoti Maity, Vijay Bhat, ...
Biochemical Journal, vol. 475, no. 13, pp. 2153–2166, Jul. 2018, https://doi.org/10.1042/BCJ20180306


Awards

Senior Research Fellowship

Council of Scientific & Industrial Research (CSIR), Govt. of India

Aug 2015 – Jul 2018


Junior Research Fellowship

Council of Scientific & Industrial Research (CSIR), Govt. of India

Apr 2014 – Jul 2015


Kishore Vaigyanik Protsahan Yojana (KVPY) Fellow

A scholarship by the Department of Science and Technology, Govt. of India

Apr 2007 – Jun 2013


62nd Meeting of Nobel Laureates in Physics at Lindau, Germany

Selected among the 592 young researchers worldwide

1 – 6 Jul 2012