Flavin Improves Physico-Mechanical Properties and Bioimaging Suitability of Surfactant-Supplemented Graphene Dispersion
Flavin Improves Physico-Mechanical Properties and Bioimaging Suitability of Surfactant-Supplemented Graphene Dispersion
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Kotal, A., Roy, S., Jana, K., Nanda, S., Kar, R.K.# Langmuir (2025) [DOI: https://doi.org/10.1021/acs.langmuir.5c00493] [Article Link].
Mechanistic Insights on Sulfur Functionalization of Ag Nanoflowers
Mechanistic Insights on Sulfur Functionalization of Ag Nanoflowers
De, A.K., Srivastava, R., Das, N., Pattader, P.S.G.#, Kar, R.K.# Physical Chemistry Chemical Physics (2025) [DOI: https://doi.org/10.1039/D5CP00645G] [Article Link].
Cover Image, Volume 129, Issue 13
Cover Image, Volume 129, Issue 13
Mohapatra, S.S., Bisht, K.S., Suryawanshi, S., Gupta, S., Biswaw, V.K., Chakraborty, A., Raghav, S.K., Maiti, T.K., Kar, R.K.#, Biswas, A.# Journal of Physical Chemistry B (2025) [DOI: https://doi.org/10.1021/acs.jpcb.4c07325] [Article Link].
Image Analysis for Analytical and Microbial Studies
Image Analysis for Analytical and Microbial Studies
Kotal, A., Das, S., Sarangi, S., Das, N., Kar, R.K.# Journal of Chemical Education (2025) [DOI: https://doi.org/10.1021/acs.jchemed.4c01430] [Article Link].
Induced Surface Process of Graphene Variants' Dispersion with Biocompatible Riboflavin
Induced Surface Process of Graphene Variants' Dispersion with Biocompatible Riboflavin
Kotal, A., Jana, K., Roy, S., Satpathy, J.K., Kar, R.K.# Colloids and Surfaces A: Physicochemical and Engineering Aspects (2024) [DOI: https://doi.org/10.1016/j.colsurfa.2024.135029] [Article Link]
Dynamic Properties of Graphene Oxide Functionalized with L-Cysteine
Dynamic Properties of Graphene Oxide Functionalized with L-Cysteine
Singh, R., Kar, R.K.# Journal of Physical Chemistry C (2023) [DOI: https://doi.org/10.1021/acs.jpcc.3c04469] [Article Link]
Network analysis of chromophore binding site in LOV domain
Network analysis of chromophore binding site in LOV domain
Panda, R., Panda, P.K., Krishnamoorthy, J. Kar, R.K.# Computers in Biology and Medicine (2023): 161, 106996 [DOI: https://doi.org/10.1016/j.compbiomed.2023.106996] [Article Link]
Non-covalent interactions that tune the reactivities of the flavins in bifurcating electron transferring flavoprotein
Non-covalent interactions that tune the reactivities of the flavins in bifurcating electron transferring flavoprotein
Viegas, M.G-, Kar, R.K., Miller, A.-F., Mroginski, M.A. Journal of Biological Chemistry (2023): 299(6), 104762 [DOI: https://doi.org/10.1016/j.jbc.2023.104762] [Article Link]
Cover Story | Benefits of Hybrid QM/MM over Traditional Classical Mechanics in Pharmaceutical Systems
Cover Story | Benefits of Hybrid QM/MM over Traditional Classical Mechanics in Pharmaceutical Systems
Kar, R.K.# Drug Discovery Today (2022): 28, 103379 [DOI: https://doi.org/10.1016/j.drudis.2022.103374] [Article Link]
Tuning the Quantum Chemical Properties of Flavins via Modification at C8.
Tuning the Quantum Chemical Properties of Flavins via Modification at C8.
Kar, R.K., Chasen, S., Mroginski, M-.A., Miller, A-F.Journal of Physical Chemistry - B (2021): 125, 46, 12654-69. DOI: 10.1021/acs.jpcb.1c07306 [Article Link]
Structural Dynamics of RNA in the Presence of Choline Amino Acid Based Ionic Liquid: A Spectroscopic and Computational Outlook.
Structural Dynamics of RNA in the Presence of Choline Amino Acid Based Ionic Liquid: A Spectroscopic and Computational Outlook.
Tulsiyan, K.D., Jena, S., Viegas, M.G-, Kar, R.K.,# Biswal, H.S.# ACS Central Science (2021): DOI: 10.1021/acscentsci.1c00768 [Article Link]
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Cover Image, Volume 12, Issue 2
Cover Image, Volume 12, Issue 2
Kar, R.K., Miller, A.-F., Mroginski, M.A. WIREs Computational Molecular Science (2022): e1613 [DOI: https://doi.org/10.1002/wcms.1613] [Article Link]
Transient Near-UV Absorption of the Light-Driven Sodium Pump Krokinobacter eikastus Rhodopsin 2: A Spectroscopic Marker for Retinal Configuration.
Transient Near-UV Absorption of the Light-Driven Sodium Pump Krokinobacter eikastus Rhodopsin 2: A Spectroscopic Marker for Retinal Configuration.
Asido, M.,* Kar, R.K.*, Kriebel, C.N., Braun, M., Glaubitz, C., Schapiro, I., Wachtveitl, J. Journal of Physical Chemistry Letters (2021): 12, 6284-91.[Article Link] * Co-first authors
Solvent Relaxation NMR: A Tool for Real-Time Monitoring Water-Dynamics in Protein Aggregation Landscape
Solvent Relaxation NMR: A Tool for Real-Time Monitoring Water-Dynamics in Protein Aggregation Landscape
Chakraborty, I.*, Kar, R.K.*, Sarkar, D., Kumar, S., Maiti, N., Mandal, A., Bhunia, A. ACS Chemical Neuroscience (2021).[Article Link]
* Co-first authors
Understanding Flavin Electronic Structure and Spectra.
Understanding Flavin Electronic Structure and Spectra.
Kar, R.K., Miller, A.-F., Mroginski, M.A. WIREs Computational Molecular Science (2021): e1541 [DOI: https://doi.org/10.1002/wcms.1541] [Article Link]
Two-Photon Conversion of a Bacterial Phytochrome.
Two-Photon Conversion of a Bacterial Phytochrome.
Sokolovski, S.G., Zherebtsov, E.A., Kar, R.K., Golonka, D., Stabel, R., Chichkov, N.B., Gorodetsky, A., Schapiro, I., Möglich, A., Rafailov, E.U. Biophysical Journal (2021) 120(5): 964-974 [Article Link]
Femtosecond-to-Millisecond Structural Changes in a Light-Driven Sodium Pump.
Femtosecond-to-Millisecond Structural Changes in a Light-Driven Sodium Pump.
Skopintsev, P., Ehrenberg, D., Weinert, T., James, D., Kar, R.K., ..., Schapiro, I., Milne, C., Heberle, J., Standfuss, J. Nature (2020) 583(7815): 314-318 [PMID-32499654] [Article Link][PDF]
More Information/News: Media Information [News Link]
Spectroscopic Properties of Lumiflavin: A Quantum Chemical Study.
Spectroscopic Properties of Lumiflavin: A Quantum Chemical Study.
Kar, R.K., Borin, V., Ding, Y., Matysik, J., Schapiro, I. Photochemistry and Photobiology (2019) 95(2):662-674 [PMID-30257038][Article Link][PDF]
Non-productive binding modes as a prominent feature of Aβ40 fiber elongation: Insights from molecular dynamics simulation.
Non-productive binding modes as a prominent feature of Aβ40 fiber elongation: Insights from molecular dynamics simulation.
Kar, R.K., Brender, J.R., Ghosh, A., Bhunia, A. Journal of Chemical Information and Modeling (2018) 58:15 [PMID-27760359][Article Link][PDF]
Accelerated molecular dynamics simulation analysis of MSI-594 in a lipid bilayer.
Accelerated molecular dynamics simulation analysis of MSI-594 in a lipid bilayer.
Mukherjee, S., Kar, R.K., Reddy, R.P., Mroue, K.H., Ramamoorthy, A., Bhunia, A. Physical Chemistry Chemical Physics (2017) 19:19289-19299. [PMID-28702543][Article Link] [PDF]
Evidence for Inhibition of Lysozyme Amyloid Fibrillization by Peptide Fragments from Human Lysozyme: A Combined Spectroscopy, Microscopy, and Docking Study
Evidence for Inhibition of Lysozyme Amyloid Fibrillization by Peptide Fragments from Human Lysozyme: A Combined Spectroscopy, Microscopy, and Docking Study
Kar, R.K., Gazova, Z., Bednarikova, Z., Mroue, K.H., Ghosh, A., Zhang, R., Ulicna, K., Siebert, H.C., Nifantiev, N.E., Bhunia, A. Biomacromolecules (2016) 17(6), 1998–2009 . [PMID-27116396][Article Link] [PDF]
Biophysical and Biochemical Aspects of Antifreeze Proteins: Using Computational Tools to Extract Atomistic Information.
Biophysical and Biochemical Aspects of Antifreeze Proteins: Using Computational Tools to Extract Atomistic Information.
Kar, R.K., Bhunia, A. Progress in Biophysics and Molecular Biology (2015) 119(2), 194-204. [PMID-26362837][Article Link] [PDF]
Will it be beneficial to simulate the Antifreeze proteins at ice freezing condition or at lower temperature?
Will it be beneficial to simulate the Antifreeze proteins at ice freezing condition or at lower temperature?
Kar, R.K., Bhunia, A. Journal of Physical Chemistry-B (2015) 119, 11485-11495. [PMID-26295714] [Article Link] [PDF]
Plant alkaloid chelerythrine induced aggregation of human telomere sequence - a unique mode of association between a small molecule and a quadruplex.
Plant alkaloid chelerythrine induced aggregation of human telomere sequence - a unique mode of association between a small molecule and a quadruplex.
Ghosh, S. *, Jana, J. *, Kar, R.K. *, Chatterjee, S., Dasgupta, D. Biochemistry (2014) 53; 7269-7282. [PMID-25566806] [Article Link] [PDF]
Indolicidin Targets Duplex DNA: Structural and Mechanistic Insights Employing Combination of Spectroscopy and Microscopy.
Indolicidin Targets Duplex DNA: Structural and Mechanistic Insights Employing Combination of Spectroscopy and Microscopy.
Ghosh A., Kar, R.K., Jana, J., Saha, A., Jana, B., Krishnamoorthy, J., Kumar, D., Ghosh, S., Chatterjee, S., Bhunia A. ChemMedChem (2014) 9(9); 2052-2058. [PMID-25044630] [Article Link] [PDF]
Use of a Small Peptide Fragment as an Inhibitor of Insulin Fibrillation Process: A Study by High and Low Resolution Spectroscopy.
Use of a Small Peptide Fragment as an Inhibitor of Insulin Fibrillation Process: A Study by High and Low Resolution Spectroscopy.
Banerjee V.*, Kar, R.K. *, Datta A., Parthasarathi K., Chatterjee S., Das K.P., Bhunia A. PLoS One (2013) 8(8):e72318. [PMID-24009675] [Article Link] [PDF]
Novel G-Quadruplex Stabilizing Agents: In-Silico Approach and Dynamics
Novel G-Quadruplex Stabilizing Agents: In-Silico Approach and Dynamics
Kar, R.K., Suryadevara P., Jana J., Bhunia A., Chatterjee S. Journal of Biomolecular Structure and Dynamics (2013) 31(12):1497-518. [PMID-23244447] [Article Link] [PDF]
Solution Structures, Dynamics and Ice Growth Inhibitory Activity of Peptide Fragments Derived from an Antarctic Yeast Protein
Solution Structures, Dynamics and Ice Growth Inhibitory Activity of Peptide Fragments Derived from an Antarctic Yeast Protein
Shah S.H.*, Kar, R.K.*, Asmawi A.A., Rahman M.B., Murad A.M., Mahadi N.M., Basri, M., Rahman R.N., Salleh A.B., Chatterjee S., Tejo B.A., Bhunia A. PLoS One (2012) 7(11):e49788. [PMID-23209600] [Article Link] [PDF]
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