Parbati Biswas Group

Theory and Simulation Lab

Department of Chemistry

Publications

91. S. Paul and P. Biswas, 2024, Molecular Dynamics Simulation Study of the Self-Assembly of Tau-Derived PHF6 and Its Inhibition by Oleuropein Aglycone from Extra Virgin Olive Oil, J. Phys. Chem. B, DOI:10.1021/acs.jpcb.4c02393, (Impact Factor: 3.3)

90. P. Dey and P. Biswas, 2024, Effect of caffeine on the aggregation of amyloid-β–A 3D RISM study, J. Chem. Phys., 160, 125101 (Impact Factor: 4.4)

89. S. Kumar and P. Biswas, 2023, Intrinsic viscosity and dielectric relaxation of ring polymers in dilute solutions, J. Chem. Phys., 159, 164902 (Impact Factor: 4.4)

88. S. Paul and P. Biswas, 2023, Curvature induced structural changes of the chicken villin headpiece subdomain by single walled carbon nanotubes, Phys. Chem. Chem. Phys., 25, 26094 (Impact Factor: 3.3)

87. P. Dey and P. Biswas, 2023, Exploring the aggregation of amyloid-β 42 through Monte Carlo simulations, Biophys. Chem., 297, 107011 (Impact Factor: 3.628)

86. P. Dey and P. Biswas, 2023, Relaxation Dynamics Measure the Aggregation Propensity of Amyloid-β and its Mutants, J. Chem. Phys., 158, 105101 (Impact Factor: 4.4)

85. P. Dey and P. Biswas, 2022, Aggregation Propensities of Proteins with Varying Degrees of Disorder, J. Comput. Chem., 44, 874 (Impact Factor: 3.672)

84. S. Sharma*, V. Singh* and P. Biswas, 2022, Analysis of the Passage Times for Unfolding/Folding of Adenine Riboswitch Aptamer, ACS Phys. Chem. Au, 2, 353 (*Equal Contribution)

83. M. Handa and P. Biswas, 2022, Segmental Mobility of Ring Polymers in Good and Poor Solvents, Macromolecules, 55, 2182 (Impact Factor: 6.057)

82. V. Singh and P. Biswas, 2022, Predicting Protein Shelf Lives from Mean First Passage Times, Chem. Phys. Lett., 792, 139426 (Impact Factor: 2.719)

81. V. Singh and P. Biswas, 2021, A Generalized Langevin Equation Approach for Barrier Crossing Dynamics in Conformational Transitions of Proteins, J. Stat. Mech: Theory and Exp., 2021, 063502 (Impact Factor: 2.234)

80. M. Handa and P. Biswas, 2021, Conformations of Ring Polymers with Excluded Volume Interactions, J. Rheol., 65, 595 (Impact Factor: 4.534)

79. V. Singh and P. Biswas, 2021, Conformational Transitions of Amyloid-β: A Langevin and Generalized Langevin Dynamics Simulation Study, ACS Omega, 6, 13611 (Impact Factor: 4.132)

78. S. Sharma, V. Singh and P. Biswas, 2021, Effect of Ligand Binding on Riboswitch Folding: Theory and Simulations, J. Chem. Phys., 154, 185101 (Impact Factor: 4.304)

77. L. Aggarwal and P. Biswas, 2021, Hydration Thermodynamics of Familial Parkinson's Disease-Linked Mutants of α-Synuclein, J. Chem. Inf. Model., 61, 1850 (Impact Factor: 6.162)

76. M. Handa and P. Biswas, 2021, Intramolecular Relaxation of Ring Polymers in Dilute Solutions, J. Rheol., 65, 381 (Impact Factor: 4.534)

75. L. Aggarwal and P. Biswas, 2021, Hydration Thermodynamics of the N-Terminal FAD Mutants of Amyloid-β, J. Chem. Inf. Model., 61, 298 (Impact Factor: 6.162)

74. S. Gupta and P. Biswas, 2020, Conformational Properties of Complexes of Poly(propylene imine) Dendrimers with Linear Polyelectrolytes in Dilute Solutions, J. Chem. Phys., 153, 194902 (Impact Factor: 4.304) invited article in special issue on "Special Collection in Honor of Women in Chemical Physics and Physical Chemistry"

73. S. Gupta and P. Biswas, 2020, Conformations of Poly(propylene imine) Dendrimers in an Ionic Liquid at Different pH, Soft Matter, 16, 8400 (Impact Factor: 4.046)

72. S. Sharma and P. Biswas, 2020, Conformational Transitions of a DNA Hairpin through Transition Path Times, J. Stat. Mech: Theory and Exp., 2020, 073411 (Impact Factor: 2.234)

71. L. Aggarwal and P. Biswas, 2020, Interaction Volume Is a Measure of the Aggregation Propensity of Amyloid-β, J. Phys. Chem. Lett., 11, 3993 (Impact Factor: 6.888)

70. S. Gupta and P. Biswas, 2020, Orientational Relaxation of Poly(propylene imine) Dendrimers at Different pH, J. Phys. Chem. B, 124, 4193 (Impact Factor: 3.466)

69. L. Aggarwal and P. Biswas, 2020, Effect of Alzheimer's Disease Causative and Protective Mutations on the Hydration Environment of Amyloid-β, J. Phys. Chem. B, 124, 2311 (Impact Factor: 3.466)

68. P. Biswas, 2019, Theoretical and computational advances in protein misfolding in Advances in Protein Chemistry and Structural Biology, Elsevier, 118, Chapter 1, pp. 1-31.

67. Neha, P. Biswas and Rama Kant, 2019, Theory for the Dynamics of Polymer Grafted Nanoparticle in Solution, J. Phys. Chem. C, 123, 30657 (Impact Factor: 4.177)

66. S. Sharma and P. Biswas, 2019, Unusual dynamics of hydration water around motor proteins with long-ranged hydrodynamic fluctuations, Physica A, 534, 122045 (Impact Factor: 3.778)

65. M. Handa and P. Biswas, 2019, Orientational relaxation of ring polymers in dilute solutions, Soft Matter, 15, 5896 (Impact Factor: 4.046)

64. A. Kumar and P. Biswas, 2019, Effect of correlated pair mutations in protein misfolding, J. Phys. Chem. B, 123, 5069 (Impact Factor: 3.466)

63. A. Kumar and P. Biswas, 2019, Effect of site‐directed point mutations on protein misfolding: A simulation study, Proteins: Struct. Funct. Bioinf., 87, 760 (Impact Factor: 4.088)

62. S. Gupta and P. Biswas, 2018, Effect of pH on size and internal structure of Poly(Propylene Imine) dendrimers: A molecular dynamics simulation study, J. Phys. Chem. B, 122, 9250 (Impact Factor: 3.466)

61. L. Aggarwal and P. Biswas, 2018, Hydration water distribution around intrinsically disordered proteins, J. Phys. Chem. B, 122, 4206 (Impact Factor: 3.466)

60. S. Basu and P. Biswas, 2018, Salt-bridge dynamics in intrinsically disordered proteins: A trade-off between electrostatic interactions and structural flexibility, Biochim. Biophys. Acta, Proteins Proteomics, 1866, 624 (Impact Factor: 4.125)

59. V. Singh and P. Biswas, 2018, Estimating the mean first passage time of protein misfolding, Phys. Chem. Chem. Phys., 20, 5692 (Impact Factor: 3.945)

58. S. Sharma and P. Biswas, 2018, Hydration water dynamics around a protein surface: a first passage time approach, J. Phys.: Condens. Matter., 30, 035101 (Impact Factor: 2.745)

57. G. J. Rai and P. Biswas, 2017, Topology driven structural transition of dendrimers with a dimensional cross-over, Polymer, 115, 118 (Impact Factor: 4.432)

56. A. Kumar, A. Baruah and P. Biswas, 2017, Role of local and nonlocal interactions in folding and misfolding of globular proteins, J. Chem. Phys., 146, 065102 (Impact Factor: 4.304)

55. A. Baruah and P. Biswas, 2016, Globular-Disorder transition in proteins: A compromise between hydrophobic and electrostatic interactions?, Phys. Chem. Chem. Phys., 18, 23207 (Impact Factor: 3.945)

54. G. J. Rai, A. Kumar and P. Biswas, 2016, Dynamics of dendrimers with excluded volume: A comparison with experiments and simulations, J. Rheol., 60, 111 (Impact Factor: 4.534)

53. P. Rani and P. Biswas, 2015, Diffusion of hydration water around intrinsically disordered proteins, J. Phys. Chem. B, 119, 13262 (Impact Factor: 3.466)

52. A. Baruah, P. Rani and P. Biswas, 2015, Conformational entropy of intrinsically disordered proteins from amino acid triads, Sci. Rep., 5, 11740 (Impact Factor: 4.996)

51. A. Baruah and P. Biswas, 2015, Designing pH induced fold switch in proteins, J. Chem. Phys., 142, 185102 (Impact Factor: 4.304)

50. G. J. Rai, A. Kumar and P. Biswas, 2015, Effect of excluded volume on the rheology and transport dynamics of randomly hyperbranched polymers, J. Chem. Phys., 142, 174906 (Impact Factor: 4.304)

49. P. Rani and P. Biswas, 2015, Local structure and dynamics of hydration water in intrinsically disordered proteins, J. Phys. Chem. B, 119, 10858 (Impact Factor: 3.466)

48. P. Rani, A. Baruah and P. Biswas, 2014, Does lack of secondary structure imply intrinsic disorder in proteins? A sequence analysis, Biochim. Biophys. Acta, Proteins Proteomics, 1844, 1827 (Impact Factor: 4.125)

47. G. J. Rai, A. Kumar and P. Biswas, 2014, Intramolecular relaxation of flexible dendrimers with excluded volume, J. Chem. Phys., 141, 034902 (Impact Factor: 4.304)

46. P. Rani and P. Biswas, 2014, Shape dependence of the radial distribution function of hydration water around proteins, J. Phys.: Condens. Matter., 26, 335102 (Impact Factor: 2.745)

45. A. Baruah and P. Biswas, 2014, The role of site-directed point mutations in protein misfolding, Phys. Chem. Chem. Phys., 16, 13964. (Impact Factor : 3.945)

44. N. Rawat and P. Biswas, 2014, Hydrogen bond dynamics in intrinsically disordered proteins, J. Phys. Chem. B, 118, 3018. (Impact Factor: 3.466)

43. A. Baruah and P. Biswas, 2014, Designing sequences with varied flexibility and stability through pair mutations, RSC Adv., 4, 8031. (Impact Factor : 4.036)

42. A. Kumar and P. Biswas, 2013, Orientational relaxation in semiflexible dendrimers, Phys. Chem. Chem. Phys., 15, 20294. (Impact Factor : 3.945)

41. N. Bhattacharjee and P. Biswas, 2013, Helical ambivalency induced by point mutations, BMC Struct. Biol., 13, 9. (Impact Factor : 2.096)

40. A. Kumar, G. J. Rai and P. Biswas, 2013, Conformation and intramolecular relaxation dynamics of semiflexible randomly hyperbranched polymers, J. Chem. Phys., 138, 104902. (Impact Factor : 4.304)

39. N. Bhattacharjee, P. Rani and P. Biswas, 2013, Capturing molten globule state of α- lactalbumin through constant pH molecular dynamics simulations, J. Chem. Phys., 138, 095101. (Impact Factor : 4.304)

38. A. Kumar and P. Biswas, 2013, Semiflexibility induced range of conformations in dendrimers, Soft Matter (Communication), 9, 2375. (Impact Factor : 4.046)

37. S. Chaudhary, M. K. Seth, I. D. Vats, K. Kumar, P. Biswas, J. Karar, M. E. Hussain, M. A. Q. Pasha and S. Pasha, 2013, Sulphur containing angiotensin converting enzyme inhibitor-3-thienylalanine-orinthyl-proline activates endothelial function and expression of genes involved in renin angiotensin system, J. Cardiovasc. Pharm., 61, 311. ( Impact Factor: 3.271)

36. A. Kumar and P. Biswas, 2012, Conformational transitions in semiflexible dendrimers induced by bond orientations, J. Chem. Phys., 137, 124903. (Impact Factor : 4.304)

35. N. Rawat and P. Biswas, 2012, Hydrophobic moments, shape, and packing in disordered proteins, J. Phys. Chem. B, 116, 6326. (Impact Factor : 3.466)

34. A. Baruah, A. Bhattacherjee and P. Biswas, 2012, Role of conformational heterogeneity on protein misfolding, Soft Matter, 8, 4432. (Impact Factor : 4.046)

33. N. Bhattacharjee and P. Biswas, 2012, Are ambivalent α-helices entropically driven? Protein Eng. Des. Sel., 25, 73. (Impact Factor : 2.339)

32. N. Bhattacharjee and P. Biswas, 2011, Local order and mobility of water molecules, J. Phys. Chem. B, 115, 12257. (Impact Factor : 3.466)

31. N. Bhattacharjee and P. Biswas, 2011, Structure of hydration water in proteins: A comparison of molecular dynamics simulations and database analysis, Biophys. Chem., 158, 73. (Impact Factor : 3.628)

30. A. Kumar and P. Biswas, 2011, Intramolecular relaxation dynamics in semiflexible dendrimers, J. Chem. Phys., 134, 214901. (Impact Factor : 4.304)

29. N. Rawat and P. Biswas, 2011, Shape, flexibility and packing of proteins and nucleic acids in complexes, Phys. Chem. Chem. Phys., 13, 9632. (Impact Factor : 3.945)

28. P. Biswas and A. Bhattacherjee, 2011, Role of foldability and stability in designing real protein sequences, Phys. Chem. Chem. Phys., 13, 9223. (Impact Factor : 3.945)

27. A. Bhattacherjee and P. Biswas, 2011, Designing misfolded sequences by energy landscaping, J. Phys. Chem. B, 115, 113. (Impact Factor : 3.466)

26. N. Bhattacharjee and P. Biswas, 2010, Statistical analysis and molecular dynamics simulations of ambivalent α-helices, BMC Bioinformatics, 11, 519. (Impact Factor : 3.169)

25. N. Bhattacharjee and P. Biswas,, 2010, Position-specific propensities of amino acids in the β-strand, BMC Struct. Biol., 10, 29. (Impact Factor : 2.096)

24. A. Kumar and P. Biswas, 2010, Dynamics of semiflexible dendrimers in dilute solutions, Macromolecules, 43, 7378. (Impact Factor : 6.057)

23. A. Bhattacherjee and P. Biswas, 2010, Neutrality and evolvability of designed protein sequences, Phys. Rev. E, 82, 011906. (Impact Factor : 2.707)

22. A. Bhattacherjee and P. Biswas, 2009, Statistical theory of protein sequence designs by random mutation, J. Phys. Chem. B, 113, 5520. (Impact Factor : 3.466)

21. A. Bhattacherjee and P. Biswas, 2009, Combinatorial design of protein sequences with applications to real and lattice proteins, J. Chem. Phys., 131, 125101. ( Impact Factor : 4.304)

20. N. Bhattacharjee and P. Biswas, 2009, Structural patterns in α-Helices and β-Sheets in globular proteins, Protein Pept. Lett., 16, 953. (Impact Factor : 2.707)

19. N. Rawat and P. Biswas, 2009, Size, shape and flexibility of proteins and DNA, J. Chem. Phys., 131, 165104. (Impact Factor : 4.304)

18. A. Bhattacherjee and P. Biswas, 2009, Statistical theory of neutral protein evolution by random site mutations, J. Chem. Sci., 121, 887. (Impact Factor : 2.150)

17. Snehlata, I. D. Vats, M. Chopra, P. Biswas and S. Pasha, 2009, Effect of varying chain length between P1 and P1’ position of of tripeptidomimics on activity of angiotensin converting enzyme inhibitors, Bioorg. Med. Chem. Lett., 19, 4364. ( Impact Factor : 2.94)

16. K. Hanif, Snehalata, M.C. Pavar, E. Arif, P. Biswas, M. Fahim, M. A. Pasha and S. Pasha, 2009, Effect of 3-thienylalamine-ornithine-proline, new Sulphur-containing angiotesin-converting enzyme inhibition on blood pressure and oxide stress in spontaneously hypertensive rats, J. Cardiovasc. Pharm., 53, 145. (Impact Factor : 3.271)

15. S. Mukherjee, A. Saha, P. Biswas, C. Mandal and K. Ray, 2008, Structural analysis protein variants of factor IX to predict functional aberration haemophilia B, Haemophilia, 14, 1076. (Impact Factor: 4.263)

14. A. Sharma, S. Chavali, A. Mahajan, P. Biswas and D. Bharadwaj, 2008, Multiple substitution at single site: interpreting the effect of Asn92 mutations in human coagulation factor IX, Haemophilia, 14, 396. (Impact Factor: 4.263)

13. M. Vidyasagar et. Al, 2007, Biosuite: A comprehensive bioinformatics software package (a unique industry-academia collaboration), Current Sci., 92, 29. ( Impact Factor: 0.944)

12. P. Biswas, J. Zou and J. G. Saven, 2005, Statistical theory for protein ensembles with designed energy landscapes, J. Chem. Phys., 123, 154908. (Impact Factor: 4.304)

11. P. Biswas, R. Kant and A. Blumen, 2001, Stretch dynamics of flexible dendritic polymers in solution, J. Chem. Phys., 114, 2430. (Impact Factor: 4.304)

10. P. Biswas, R. Kant and A. Blumen, 2000, Polymer dynamics and topology: Extension of stars and dendrimers in external fields, Macromol. Theory Simul., 9, 56. ( Impact Factor: 1.557)

9. R. Kant, P. Biswas and A. Blumen, 2000, Hydrodynamic effects on the extension of stars and dendrimers in external fields, Macromol. Theory Simul., 9, 608. ( Impact Factor: 1.557)

8. T. C. B. McLeish et. al, 1999, Dynamics of entangled H-polymers: Theory, rheology and neutron-scattering, Macromolecules, 32, 6734. (Impact Factor: 6.057)

7. P. Biswas, A. Paramekanti and B. J. Cherayil, 1996, Shapes of generalized random walks, J. Chem. Phys., 104, 3360. (Impact Factor: 4.304)

6. P. Biswas, A. Paramekanti and B. J. Cherayil, 1995, Polymers below the theta point: Renormalization group considerations, J. Chem. Phys., 103, 7562. (Impact Factor: 4.304)

5. P. Biswas and B. J. Cherayil, 1995, Dynamics of fractional brownian walks, J. Phys. Chem., 99, 816. (Impact Factor: 3.466)

4. P. Biswas and B. J. Cherayil, 1994, Radial dimensions of starburst polymers, J. Chem. Phys., 100, 3201. (Impact Factor: 4.304)

3. P. Biswas and B. J. Cherayil, 1994, Chain dimensions near the critical point, J. Chem. Phys., 100, 4665. (Impact Factor: 4.304)

2. B. J. Cherayil and P. Biswas, 1993, Path integral description of polymers using fractional Brownian walks, J. Chem. Phys., 99, 9230. (Impact Factor: 4.304)

© Parbati Biswas