Md Fulbabu Sk (M F Sk)

Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 23

Top Venues

Journal of biomolecular structure & dynamics

SAR and QSAR in environmental research

The journal of physical chemistry. B

Journal of computer-aided molecular design

Indian Institute of Technology Indore (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Indian Institute of Technology Indore Jul 05 2017

India

PHD :: Displine of Biosciences and Biomedical Engineering

Aligarh Muslim University

India

MSC :: Physics

Aligarh Muslim University

India

BSC :: Physics

Publications

Md Fulbabu Sk, Sunanda Samanta, Sayan Poddar, Parimal Kar
Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey. Journal of computer-aided molecular design 38 (1) (2024)
Md Fulbabu Sk, Sunanda Samanta, Sayan Poddar, Parimal Kar
Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey. Journal of computer-aided molecular design 38 (1) (2024)
Md Fulbabu Sk, Sunanda Samanta, Sayan Poddar, Parimal Kar
Microsecond dynamics of H10N7 influenza neuraminidase reveals the plasticity of loop regions and drug resistance due to the R292K mutation. Journal of computational chemistry (2023)
Sunanda Samanta, Md Fulbabu Sk, Suman Koirala, Parimal Kar
Exploring molecular interactions of potential inhibitors against the spleen tyrosine kinase implicated in autoimmune disorders via virtual screening and molecular dynamics simulations. SAR and QSAR in environmental research (2023)
Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, Parimal Kar
Unraveling the Molecular Mechanism of Recognition of Selected Next-Generation Antirheumatoid Arthritis Inhibitors by Janus Kinase 1. ACS omega 7 (7) (2022)
Nisha Amarnath Jonniya, Md Fulbabu Sk, Rajarshi Roy, Parimal Kar
Discovery of potential competitive inhibitors against With-No-Lysine kinase 1 for treating hypertension by virtual screening, inverse pharmacophore-based lead optimization, and molecular dynamics simulations. SAR and QSAR in environmental research 33 (2) (2022)
Omkar Indari, Md Fulbabu Sk, Shweta Jakhmola, Nisha Amarnath Jonniya, Hem Chandra Jha, Parimal Kar
Decoding the Host-Parasite Protein Interactions Involved in Cerebral Malaria Through Glares of Molecular Dynamics Simulations. The journal of physical chemistry. B 126 (2) (2022)
Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, Parimal Kar
Phosphorylation-Induced Conformational Dynamics and Inhibition of Janus Kinase 1 by Suppressors of Cytokine Signaling 1. The journal of physical chemistry. B 126 (17) (2022)
Rajarshi Roy, Md Fulbabu Sk, Omprakash Tanwar, Parimal Kar
Computational studies indicated the effectiveness of human metabolites against SARS-Cov-2 main protease. Molecular diversity (2022)
Rajarshi Roy, Sayan Poddar, Md Fulbabu Sk, Parimal Kar
Conformational preferences of triantennary and tetraantennary hybrid N-glycans in aqueous solution: Insights from 20 μs long atomistic molecular dynamic simulations. Journal of biomolecular structure & dynamics (2022)
Md Fulbabu Sk, Parimal Kar
Finding inhibitors and deciphering inhibitor-induced conformational plasticity in the Janus kinase via multiscale simulations. SAR and QSAR in environmental research 33 (11) (2022)
Nisha Amarnath Jonniya, Md Fulbabu Sk, Parimal Kar
Elucidating specificity of an allosteric inhibitor WNK476 among With-No-Lysine kinase isoforms using molecular dynamic simulations. Chemical biology & drug design 98 (3) (2021)
Shruti Pyasi, Nisha Amarnath Jonniya, Md Fulbabu Sk, Debasis Nayak, Parimal Kar
Finding potential inhibitors against RNA-dependent RNA polymerase (RdRp) of bovine ephemeral fever virus (BEFV): an in-silico study. Journal of biomolecular structure & dynamics (2021)
Shweta Jakhmola, Nisha Amarnath Jonniya, Md Fulbabu Sk, Annu Rani, Parimal Kar, Hem Chandra Jha
Identification of Potential Inhibitors against Epstein-Barr Virus Nuclear Antigen 1 (EBNA1): An Insight from Docking and Molecular Dynamic Simulations. ACS chemical neuroscience 12 (16) (2021)
Uma Shankar, Neha Jain, Subodh Kumar Mishra, Md Fulbabu Sk, Parimal Kar, Amit Kumar
Mining of Ebola virus genome for the construction of multi-epitope vaccine to combat its infection. Journal of biomolecular structure & dynamics (2021)
Md Fulbabu Sk, S Haridev, Rajarshi Roy, Parimal Kar
Investigating potency of TMC-126 against wild-type and mutant variants of HIV-1 protease: a molecular dynamics and free energy study. SAR and QSAR in environmental research 32 (11) (2021)
Rajarshi Roy, Md Fulbabu Sk, Nisha Amarnath Jonniya, Sayan Poddar, Parimal Kar
Finding potent inhibitors against SARS-CoV-2 main protease through virtual screening, ADMET, and molecular dynamics simulation studies. Journal of biomolecular structure & dynamics (2021)
Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Md Fulbabu Sk, Parimal Kar
Unraveling the Molecular Mechanism of Recognition of Human Interferon-Stimulated Gene Product 15 by Coronavirus Papain-Like Proteases: A Multiscale Simulation Study. Journal of chemical information and modeling (2021)
Nisha Amarnath Jonniya, Md Fulbabu Sk, Parimal Kar
A comparative study of structural and conformational properties of WNK kinase isoforms bound to an inhibitor: insights from molecular dynamic simulations. Journal of biomolecular structure & dynamics (2020)
Md Fulbabu Sk, Nisha Amarnath Jonniya, Parimal Kar
Exploring the energetic basis of binding of currently used drugs against HIV-1 subtype CRF01_AE protease via molecular dynamics simulations. Journal of biomolecular structure & dynamics 39 (16) (2020)
Satyam Singh, Md Fulbabu Sk, Avinash Sonawane, Parimal Kar, Sushabhan Sadhukhan
Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 via RNA-dependent RNA polymerase (RdRp) inhibition: an in-silico analysis. Journal of biomolecular structure & dynamics 39 (16) (2020)
Md Fulbabu Sk, Rajarshi Roy, Parimal Kar
Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulations. Journal of biomolecular structure & dynamics 39 (3) (2020)
Md Fulbabu Sk, Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Parimal Kar
Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations. Journal of biomolecular structure & dynamics 39 (10) (2020)

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Publication Activity (10 Years)

Top Topics

Top Venues

Md Fulbabu Sk (M F Sk)