Publications by authors named "Durba Roy"

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Markovian Timescales of Intramolecular Disulfide Pairing in Cyclotides.
Jayapriya Venkatesan, Durba Roy

Proteins· August 2025

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Effect of Anomers and Glycosidic Linkages on the Thermodynamics of Mechanically Stretched Oligosaccharides.
Dinesh Kumar Jagannathareddy, Durba Roy

J Chem Inf Model· July 2025

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Energetics of Oligosaccharide Adsorption on Ionic Liquid-Clay Composites.
Shravani Nethi, Rituparna Hazra, Dinesh Kumar Jagannathareddy, Durba Roy

Chem Asian J· February 2025

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Mechanical Stretching of Nature Inspired Linear and Branched Polysaccharide Motifs through Steered Molecular Dynamics.
Sruthi Peesapati, Dinesh Kumar Jagannathareddy, Durba Roy

ACS Appl Bio Mater· September 2024

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HSA over BSA: Selective detection of Human Serum Albumin via a naphtho [2,1-b] furan-based system.
Anamika Bandyopadhyay, Rituparna Hazra, Durba Roy, Anupam Bhattacharya

Chem Asian J· March 2024

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Robustness of heteroaggregates involving hydrophobic cholesterol and its mimetics.
Rituparna Hazra, Durba Roy

Phys Chem Chem Phys· October 2023

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Monosaccharide induced temporal delay in cholesterol self-aggregation.
Rituparna Hazra, Durba Roy

J Biomol Struct Dyn· May 2023

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Free energy landscape of wrapping of lipid nanocluster by polysaccharides.
Rituparna Hazra, Durba Roy

Biophys Chem· March 2023

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Cyclic cystine knot and its strong implication on the structure and dynamics of cyclotides.
Jayapriya Venkatesan, Durba Roy

Proteins· February 2023

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Structural and spectroscopic details of polysaccharide-bile acid composites from molecular dynamics simulations.
Sruthi Peesapati, Durba Roy

J Biomol Struct Dyn· October 2022

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Copper acetate catalysed C-C bond formation to the synthesis of spiro indanedione cyclopropylpyrazolones.
Thirupathi Reddy Penjarla, Adarash Kumar Shukla, Rituparna Hazra, Durba Roy, Maheshwar Kundarapu

Org Biomol Chem· May 2022

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Relation between glycosidic linkage, structure and dynamics of α- and β-glucans in water.
Sruthi Peesapati, Karuna Anna Sajeevan, Siddhant Kumar Patel, Durba Roy

Biopolymers· May 2021

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Distinctive Weak Interactions Underlie Diverse Nucleation and Small-Angle Scattering Behavior of Aqueous Cholesterol, Cholesteryl Hemisuccinate, and Glycocholic Acid.
Rituparna Hazra, Durba Roy

J Phys Chem B· January 2021

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Editorial: Chemical Design and Biomedical Applications of Disulfide-rich Peptides: Challenges and Opportunities.
Diana Imhof, Durba Roy, Fernando Albericio

Front Chem· October 2020

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Principal Component Analysis of a Conotoxin Delineates the Link among Peptide Sequence, Dynamics, and Disulfide Bond Isoforms.
Karuna Anna Sajeevan, Durba Roy

J Phys Chem B· July 2019

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Positional Variation of Monopyridyl-N in Unsymmetrical Anthracenyl π-Conjugates: Difference between Solution- and Aggregate-State Emission Behavior.
Moghal Zubair Khalid Baig, Banchhanidhi Prusti, Durba Roy, Manab Chakravarty

ACS Omega· March 2019

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Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.
Moghal Zubair Khalid Baig, Banchhanidhi Prusti, Durba Roy, Prabhat Kumar Sahu, Moloy Sarkar

ACS Omega· August 2018

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Aqueous ionic liquids influence the disulfide bond isoform equilibrium in conotoxin AuIB: a consequence of the Hofmeister effect?
Karuna Anna Sajeevan, Durba Roy

Biophys Rev· June 2018

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Peptide Sequence and Solvent as Levers to Control Disulfide Connectivity in Multiple Cysteine Containing Venom Toxins.
Karuna Anna Sajeevan, Durba Roy

J Phys Chem B· June 2018

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Temperature-dependent molecular dynamics study reveals an ionic liquid induced 3 - to α-helical switch in a neurotoxin.
Karuna Anna Sajeevan, Durba Roy

Biopolymers· May 2017

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Scrambling of disulfide bond scaffolds in neurotoxin AuIB: A molecular dynamics simulation study.
Durba Roy, Madhavkrishnan Lakshminarayanan

Biopolymers· March 2016

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Measurements of the complete solvation response of coumarin 153 in ionic liquids and the accuracy of simple dielectric continuum predictions.
Mark Maroncelli, Xin-Xing Zhang, Min Liang, Durba Roy, Nikolaus P Ernsting

Faraday Discuss· May 2012

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Simulations of solvation and solvation dynamics in an idealized ionic liquid model.
Durba Roy, Mark Maroncelli

J Phys Chem B· May 2012

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An improved four-site ionic liquid model.
Durba Roy, Mark Maroncelli

J Phys Chem B· October 2010

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Dynamics in an idealized ionic liquid model.
Durba Roy, Nikhil Patel, Sean Conte, Mark Maroncelli

J Phys Chem B· July 2010

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