Madhurima Jana

发表

Hydration properties of α-, β-, and γ-cyclodextrins from molecular dynamics simulations.

S. Bandyopadhyay, Madhurima Jana, 2011, The journal of physical chemistry. B.

Conformational flexibility of a protein-carbohydrate complex and the structure and ordering of surrounding water.

S. Bandyopadhyay, Madhurima Jana, 2012, Physical chemistry chemical physics : PCCP.

Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations.

Alexander D. MacKerell, G. Widmalm, Madhurima Jana, 2016, Physical chemistry chemical physics : PCCP.

Elucidation of molecular interaction of bioactive flavonoid luteolin with human serum albumin and its glycated analogue using multi-spectroscopic and computational studies

Atanu Singha Roy, Madhurima Jana, A. Roy, 2020 .

In silico studies of the properties of water hydrating a small protein.

K. Chakraborty, S. Bandyopadhyay, Madhurima Jana, 2014, The Journal of chemical physics.

Non-enzymatic glycation of human serum albumin modulates its binding efficacy towards bioactive flavonoid chrysin: A detailed study using multi-spectroscopic and computational methods

Sourav Das, Madhurima Jana, Atanu Singha Roy, 2020, Journal of biomolecular structure & dynamics.

Solid state synthesis of bispyridyl-ferrocene conjugates with unusual site selective 1,4-Michael addition, as potential inhibitor and electrochemical probe for fibrillation in amyloidogenic protein

Madhurima Jana, N. Sarkar, S. Dewangan, 2022, Journal of Molecular Structure.

Binding of bioactive esculin and esculetin with hen egg white lysozyme: Spectroscopic and computational methods to comprehensively elucidate the binding affinities, interacting forces, and conformational alterations at molecular level

Atanu Singha Roy, Madhurima Jana, A. Roy, 2022, Journal of Molecular Liquids.

Superhalogens as Building Blocks of Super Lewis Acids.

P. Jena, Madhurima Jana, S. Giri, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Microscopic investigation on empirical force-field model dependent structure and dynamical properties of amino acids in aqueous medium

Madhurima Jana, Santanu Santra, Tathagata Kundu, 2019 .

The Beckmann rearrangement in the framework of reaction electronic flux

Madhurima Jana, S. Giri, R. Inostroza-Rivera, 2016, Theoretical Chemistry Accounts.

Metal‐Free One‐Pot Synthesis of 2‐(2‐Hydrazinyl) Thiazole Derivatives Using Graphene Oxide in a Green Solvent and Molecular Docking Studies

S. Chakraborty, Madhurima Jana, Arindam Das, 2021, ChemistrySelect.

Microscopic investigation of the hydration properties of cyclodextrin and its substituted forms.

S. Bandyopadhyay, Madhurima Jana, 2009, Langmuir : the ACS journal of surfaces and colloids.

CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.

Alexander D. MacKerell, Alexander D MacKerell, Madhurima Jana, 2015, The journal of physical chemistry. B.

Doped deltahedral organo-Zintl superalkali cations

Madhurima Jana, À. Muñoz-Castro, S. Giri, 2020 .

Picosecond Solvation Dynamics in Nanoconfinement: Role of Water and Host-Guest Complexation.

R. Das, S. Yesylevskyy, Madhurima Jana, 2018, The journal of physical chemistry. B.

Molecular dynamics study of β-cyclodextrin-phenylalanine (1:1) inclusion complex in aqueous medium.

S. Bandyopadhyay, Madhurima Jana, 2013, The journal of physical chemistry. B.

Kinetics of hydrogen bonds in aqueous solutions of cyclodextrin and its methyl-substituted forms.

S. Bandyopadhyay, Madhurima Jana, 2011, The Journal of chemical physics.

Molecular recognition of two bioactive coumarin derivatives 7-hydroxycoumarin and 4-methyl-7-hydroxycoumarin by hen egg white lysozyme: Exploring the binding mechanism, thermodynamic parameters and structural changes using multispectroscopic and computational approaches

Madhurima Jana, Atanu Singha Roy, V. K. Belwal, 2021, Journal of biomolecular structure & dynamics.

An insight into the binding of 6-hydroxyflavone with hen egg white lysozyme: a combined approach of multi-spectroscopic and computational studies

Sourav Das, Madhurima Jana, Atanu Singha Roy, 2018, Journal of biomolecular structure & dynamics.

Lysozyme-luteolin binding: molecular insights into the complexation process and the inhibitory effects of luteolin towards protein modification.

Sourav Das, Madhurima Jana, Atanu Singha Roy, 2019, Physical chemistry chemical physics : PCCP.

Conformational changes of GDNF-derived peptide induced by heparin, heparan sulfate, and sulfated hyaluronic acid - Analysis by circular dichroism spectroscopy and molecular dynamics simulation.

C. Werner, Madhurima Jana, M. Tsurkan, 2021, International journal of biological macromolecules.

Combined spectroscopic and computational approaches for the recognition of bioactive flavonoid 6-hydroxyflavone by human serum albumin: Effects of non-enzymatic glycation in the binding

Madhurima Jana, Atanu Singha Roy, Sharat Sarmah, 2021, Journal of Molecular Liquids.

Vibrational spectrum of water confined in and around cyclodextrins

S. Bandyopadhyay, Madhurima Jana, 2011 .

[8] Cyclo-1, 4-naphthylene: A possible new member in hole transport family

Madhurima Jana, S. Giri, G. N. Reddy, 2019, Chemical Physics Letters.

Conformational disorder and solvation properties of the key-residues of a protein in water-ethanol mixed solutions.

Madhurima Jana, Santanu Santra, D. Mohanta, 2017, Physical chemistry chemical physics : PCCP.

Insights into the Mechanism of Ground and Excited State Double Proton Transfer Reaction in Formic Acid Dimer.

A. Toro‐Labbé, Madhurima Jana, S. Giri, 2017, The journal of physical chemistry. A.

Unraveling the origin of interactions of hydroxychloroquine with the receptor-binding domain of SARS-CoV-2 in aqueous medium

Madhurima Jana, S. Giri, Santanu Santra, 2020, Chemical Physics Letters.

Restricted dynamics of water around a protein-carbohydrate complex: computer simulation studies.

S. Bandyopadhyay, Madhurima Jana, 2012, The Journal of chemical physics.

Effects of ethanol on the secondary structure specific hydration properties of Chymotrypsin Inhibitor 2 in its folded and unfolded forms

Madhurima Jana, D. Mohanta, 2018, Molecular Simulation.

Insights into the Sensitivity of Arginine Concentration to Preserve the Folded Form of Insulin Monomer under Thermal Stress

Santanu Santra, Madhurima Jana, Madhurima Jana, 2020, J. Chem. Inf. Model..

Residue Specific Interaction of an Unfolded Protein with Solvents in Mixed Water-Ethanol Solutions: A Combined Molecular Dynamics and ONIOM Study.

Madhurima Jana, S. Giri, G. N. Reddy, 2017, The journal of physical chemistry. A.

Selective Sensing of Epinephrine by Phenylboronic Acid Tethered Carbon Dot.

S. Pal, Madhurima Jana, Monalisa Chowdhury, 2023, Chemistry, an Asian journal.

In-silico investigation of the conformational properties of the disaccharide units of chondroitin, dermatan and heparan sulphate in aqueous medium

Madhurima Jana, R. Parida, Shakuntala Dhurua, 2021 .

Analysis of the Binding Mechanism of Bioactive Coumarins with Ovalbumin: Further Investigation into the Inhibitory Effects toward Protein Fibrillation

K. Aguan, Madhurima Jana, Atanu Singha Roy, 2023, ACS Food Science & Technology.

Predicting the evolution of number of native contacts of a small protein by using deep learning approach

Madhurima Jana, Santanu Santra, 2022, Comput. Biol. Chem..

A New Class of Superhalogen Based Anion Receptor in Li-Ion Battery Electrolytes

Arindam Chakraborty, Rakesh Parida, Santanab Giri, 2019, J. Chem. Inf. Model..

Sulfation Effects of Chondroitin Sulfate to Bind a Chemokine in Aqueous Medium: Conformational Heterogeneity and Dynamics from Molecular Simulation

Madhurima Jana, Shakuntala Dhurua, 2023, Journal of Chemical Information and Modeling.

Understanding Conformational Properties and Role of Hydrogen Bonds in Glycosaminoglycans-Interleukin8 Complexes in Aqueous Medium by Molecular Dynamics Simulation.

Madhurima Jana, Shakuntala Dhurua, 2022, Chemphyschem : a European journal of chemical physics and physical chemistry.

Can 2,2,2-trifluoroethanol be an efficient protein denaturant than methanol and ethanol under thermal stress?

Madhurima Jana, Madhurima Jana, Dayanidhi Mohanta, 2018, Physical chemistry chemical physics : PCCP.

Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations.

Alexander D. MacKerell, G. Widmalm, Madhurima Jana, 2016, Physical chemistry chemical physics : PCCP.

Construing the Interactions of Coumarin Derivatives with the Main Protease of Stomach Pepsin Using Spectroscopic and Computational Analyses: Insights into the Binding Thermodynamics, Antifibrillation Studies, and Enzymatic Assay

Madhurima Jana, Atanu Singha Roy, Sadia Nudrat, 2023, ACS Food Science & Technology.

Influence of Aqueous Arginine Solution on Regulating Conformational Stability and Hydration Properties of the Secondary Structural Segments of a Protein at Elevated Temperatures: A Molecular Dynamics Study.

Madhurima Jana, Santanu Santra, 2022, The journal of physical chemistry. B.

Isoflavones and Lysozyme Interplay: Molecular Insights into Binding Mechanisms and Inhibitory Efficacies of Isoflavones against Protein Modification

Madhurima Jana, V. K. Belwal, Sadia Nudrat, 2024, Chemical Physics Impact.

Residue Specific Interaction of an Unfolded Protein with Solvents in Mixed Water-Ethanol Solutions: A Combined Molecular Dynamics and ONIOM Study.

Madhurima Jana, S. Giri, G. N. Reddy, 2017, The journal of physical chemistry. A.