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Arnab Mukherjee, Ph.D. - Publications

Affiliations: 
2009- Chemistry Indian Institute of Science Education and Research Pune 
Area:
Computational Chemistry
Website:
www.iiserpune.ac.in/~arnabm
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40 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Hridya VM, Hynes JT, Mukherjee A. Dynamical Recrossing in the Intercalation Process of the Anticancer Agent Proflavine into DNA. The Journal of Physical Chemistry. B. PMID 31671261 DOI: 10.1021/Acs.Jpcb.9B08470  0.561
2018 Satpathi S, Singh RK, Mukherjee A, Hazra P. Controlling anticancer drug mediated G-quadruplex formation and stabilization by a molecular container. Physical Chemistry Chemical Physics : Pccp. PMID 29504620 DOI: 10.1039/C8Cp00325D  0.337
2017 Kulkarni M, Mukherjee A. Understanding B-DNA to A-DNA transition in the right-handed DNA helix: Perspective from a local to global transition. Progress in Biophysics and Molecular Biology. PMID 28576665 DOI: 10.1016/J.Pbiomolbio.2017.05.009  0.319
2017 Sarkar S, Saha D, Banerjee S, Mukherjee A, Mandal P. Broadband terahertz dielectric spectroscopy of alcohols Chemical Physics Letters. 678: 65-71. DOI: 10.1016/J.Cplett.2017.04.026  0.303
2017 Saha D, Mukherjee A. Connecting diffusion and entropy of bulk water at the single particle level Journal of Chemical Sciences. 129: 825-832. DOI: 10.1007/S12039-017-1317-Z  0.343
2016 Singh RK, Chamachi NG, Chakrabarty S, Mukherjee A. Mechanism of Unfolding of Human Prion Protein. The Journal of Physical Chemistry. B. PMID 28030950 DOI: 10.1021/Acs.Jpcb.6B11416  0.544
2016 Saha D, Kulkarni M, Mukherjee A. Water modulates the ultraslow dynamics of hydrated ionic liquids near CG rich DNA: consequences for DNA stability. Physical Chemistry Chemical Physics : Pccp. PMID 27847953 DOI: 10.1039/C6Cp05959G  0.362
2016 Satpathi S, Kulkarni M, Mukherjee A, Hazra P. Ionic liquid induced G-quadruplex formation and stabilization: spectroscopic and simulation studies. Physical Chemistry Chemical Physics : Pccp. PMID 27766324 DOI: 10.1039/C6Cp05732B  0.312
2016 Saha D, Mukherjee A. Impact of Ions on Individual Water Entropy. The Journal of Physical Chemistry. B. PMID 27404917 DOI: 10.1021/Acs.Jpcb.6B04033  0.322
2016 Sasikala WD, Mukherjee A. Structure and dynamics of proflavine association around DNA. Physical Chemistry Chemical Physics : Pccp. PMID 27030311 DOI: 10.1039/C5Cp07789C  0.378
2016 Kulkarni M, Mukherjee A. Ionic liquid prolongs DNA translocation through graphene nanopores Rsc Advances. 6: 46019-46029. DOI: 10.1039/C6Ra07017E  0.314
2015 Kulkarni M, Mukherjee A. Computational Approach to Explore B/A Junction Free Energy in DNA. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26538133 DOI: 10.1002/Cphc.201500690  0.343
2015 Singh RK, Sasikala WD, Mukherjee A. Molecular Origin of DNA Kinking by Transcription Factors. The Journal of Physical Chemistry. B. 119: 11590-6. PMID 26258468 DOI: 10.1021/Acs.Jpcb.5B06229  0.322
2015 Saha D, Supekar S, Mukherjee A. Distribution of Residence Time of Water around DNA Base Pairs: Governing Factors and the Origin of Heterogeneity. The Journal of Physical Chemistry. B. PMID 25993473 DOI: 10.1021/Acs.Jpcb.5B03553  0.345
2015 Kumar PS, Mukherjee A, Hazra A. Theoretical study of structural changes in DNA under high external hydrostatic pressure. The Journal of Physical Chemistry. B. 119: 3348-55. PMID 25611549 DOI: 10.1021/Jp5107185  0.357
2014 Sengupta A, Singh RK, Gavvala K, Koninti RK, Mukherjee A, Hazra P. Urea induced unfolding dynamics of flavin adenine dinucleotide (FAD): spectroscopic and molecular dynamics simulation studies from femto-second to nanosecond regime. The Journal of Physical Chemistry. B. 118: 1881-90. PMID 24456234 DOI: 10.1021/Jp412339A  0.392
2013 Kulkarni M, Mukherjee A. Sequence dependent free energy profiles of localized B- to A-form transition of DNA in water. The Journal of Chemical Physics. 139: 155102. PMID 24160545 DOI: 10.1063/1.4825175  0.345
2013 Mukherjee A, Sasikala WD. Drug-DNA intercalation: from discovery to the molecular mechanism. Advances in Protein Chemistry and Structural Biology. 92: 1-62. PMID 23954098 DOI: 10.1016/B978-0-12-411636-8.00001-8  0.367
2013 Sasikala WD, Mukherjee A. Intercalation and de-intercalation pathway of proflavine through the minor and major grooves of DNA: roles of water and entropy. Physical Chemistry Chemical Physics : Pccp. 15: 6446-55. PMID 23525232 DOI: 10.1039/C3Cp50501D  0.38
2012 Sasikala WD, Mukherjee A. Molecular mechanism of direct proflavine-DNA intercalation: evidence for drug-induced minimum base-stacking penalty pathway. The Journal of Physical Chemistry. B. 116: 12208-12. PMID 22978751 DOI: 10.1021/Jp307911R  0.371
2012 Wilhelm M, Mukherjee A, Bouvier B, Zakrzewska K, Hynes JT, Lavery R. Multistep drug intercalation: molecular dynamics and free energy studies of the binding of daunomycin to DNA. Journal of the American Chemical Society. 134: 8588-96. PMID 22548344 DOI: 10.1021/Ja301649K  0.547
2012 Sengupta A, Sasikala WD, Mukherjee A, Hazra P. Comparative study of flavins binding with human serum albumin: a fluorometric, thermodynamic, and molecular dynamics approach. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 2142-53. PMID 22532419 DOI: 10.1002/Cphc.201200044  0.322
2011 Mukherjee A. Entropy balance in the intercalation process of an anti-cancer drug daunomycin Journal of Physical Chemistry Letters. 2: 3021-3026. DOI: 10.1021/Jz2013566  0.337
2008 Mukherjee A, Lavery R, Bagchi B, Hynes JT. On the molecular mechanism of drug intercalation into DNA: a simulation study of the intercalation pathway, free energy, and DNA structural changes. Journal of the American Chemical Society. 130: 9747-55. PMID 18611009 DOI: 10.1021/Ja8001666  0.621
2006 Mukherjee A, Bagchi B. Anomalous orientation-dependent effective pair interaction among histidine and other amino acid residues in metalloproteins: breakdown of the hydropathy scale index. Biochemistry. 45: 5129-39. PMID 16618102 DOI: 10.1021/Bi0522899  0.489
2006 Mukherjee A, Bagchi B. Förster Energy Transfer in Thin Films of Conjugated Polymers and in Solution Journal of the Chinese Chemical Society. 53: 153-160. DOI: 10.1002/Jccs.200600017  0.505
2005 Mukherjee A, Bhimalapuram P, Bagchi B. Orientation-dependent potential of mean force for protein folding. The Journal of Chemical Physics. 123: 014901. PMID 16035863 DOI: 10.1063/1.1940058  0.504
2005 Mukherjee A, Santra MK, Beuria TK, Panda D. A natural osmolyte trimethylamine N-oxide promotes assembly and bundling of the bacterial cell division protein, FtsZ and counteracts the denaturing effects of urea. The Febs Journal. 272: 2760-72. PMID 15943810 DOI: 10.1111/J.1742-4658.2005.04696.X  0.54
2005 Mukherjee A, Bagchi B. Rotational friction on globular proteins combining dielectric and hydrodynamic effects Chemical Physics Letters. 404: 409-413. DOI: 10.1016/J.Cplett.2005.01.125  0.498
2004 Mukherjee A, Bagchi B. Contact pair dynamics during folding of two small proteins: chicken villin head piece and the Alzheimer protein beta-amyloid. The Journal of Chemical Physics. 120: 1602-12. PMID 15268287 DOI: 10.1063/1.1633253  0.553
2003 Mukherjee A, Bagchi B. Correlation between rate of folding, energy landscape, and topology in the folding of a model protein HP-36 Journal of Chemical Physics. 118: 4733-4747. DOI: 10.1063/1.1542599  0.532
2003 Mukherjee A, Bagchi B. Origin of the sub-diffusive behavior and crossover from sub-diffusive to super-diffusive dynamics near a biological surface Physchemcomm. 6: 28-31. DOI: 10.1039/B212786E  0.505
2003 Mukherjee A, Bagchi B. Probing folding free energy landscape of small proteins through minimalistic models: Folding of HP-36 and β-amyloid Journal of Chemical Sciences. 115: 621-636. DOI: 10.1007/Bf02708253  0.547
2002 Dufrêche JF, Bernard O, Turq P, Mukherjee A, Bagchi B. Ionic self-diffusion in concentrated aqueous electrolyte solutions. Physical Review Letters. 88: 095902. PMID 11864029 DOI: 10.1103/Physrevlett.88.095902  0.506
2002 Bhattacharyya S, Mukherjee A, Bagchi B. Correlated orientational and translational motions in supercooled liquids The Journal of Chemical Physics. 117: 2741-2746. DOI: 10.1063/1.1491875  0.692
2002 Mukherjee A, Bhattacharyya S, Bagchi B. Pressure and temperature dependence of viscosity and diffusion coefficients of a glassy binary mixture The Journal of Chemical Physics. 116: 4577-4586. DOI: 10.1063/1.1445747  0.686
2001 Mukherjee A, Srinivas G, Bagchi B. Reentrant behavior of relaxation time with viscosity at varying composition in binary mixtures. Physical Review Letters. 86: 5926-9. PMID 11415395 DOI: 10.1103/Physrevlett.86.5926  0.542
2001 Srinivas G, Mukherjee A, Bagchi B. Nonideality in the composition dependence of viscosity in binary mixtures The Journal of Chemical Physics. 114: 6220-6228. DOI: 10.1063/1.1354166  0.515
2001 Mukherjee A, Bagchi B. Nonideality in binary mixtures: Correlations between excess volume, excess viscosity, and diffusion coefficients Journal of Physical Chemistry B. 105: 9581-9585. DOI: 10.1021/Jp011313Z  0.491
2001 Mukherjee A, Srinivas G, Bhattacharyya S, Bagchi B. Relaxation in binary mixtures: Non-ideality, heterogeneity and re-entrance Journal of Chemical Sciences. 113: 393-413. DOI: 10.1007/Bf02708779  0.692
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