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Madhulika Gupta
Madhulika Gupta
Assistant Professor, IIT (ISM) Dhanbad
Verified email at iitism.ac.in - Homepage
Title
Cited by
Cited by
Year
Spontaneous rearrangement of acetylated xylan on hydrophilic cellulose surfaces
M Gupta, TB Rawal, P Dupree, JC Smith, P Loukas
Cellulose, 2021
232021
Comparison of hydration behavior and conformational preferences of the Trp-cage mini-protein in different rigid-body water models
M Gupta, D Nayar, C Chakravarty, S Bandyopadhyay
Physical Chemistry Chemical Physics 18 (48), 32796-32813, 2016
232016
Sensitivity of protein glass transition to the choice of water model
M Gupta, C Chakravarty, S Bandyopadhyay
Journal of chemical theory and computation 12 (11), 5643-5655, 2016
202016
Non-bonding and bonding interactions of biogenic impurities with the metal catalyst and the design of bimetallic alloys
M Gupta, S Khan, Tuhin S., Gupta, ...
Journal of Catalysis 352, 542, 2017
162017
Hydration Behavior along the Folding Pathways of Trpzip4, Trpzip5 and Trpzip6
M Gupta, P Khatua, C Chakravarty, S Bandyopadhyay
The Journal of Physical Chemistry B 122 (5), 1560-1572, 2018
102018
Understanding the Nature of Amino Acid Interactions with Pd (111) or Pd–Au Bimetallic Catalysts in the Aqueous Phase
M Gupta, TS Khan, M Agarwal, MA Haider
Langmuir 34 (4), 1300-1310, 2018
102018
Horizontal transfer of a pathway for coumarate catabolism unexpectedly inhibits purine nucleotide biosynthesis
DM Close, CJ Cooper, X Wang, P Chirania, M Gupta, JR Ossyra, ...
Molecular microbiology 112 (6), 1784-1797, 2019
72019
Molecular dynamics analysis of the binding of human interleukin‐6 with interleukin‐6 α‐receptor
M Gupta, K Ha, R Agarwal, LD Quarles, JC Smith
Proteins: Structure, Function, and Bioinformatics 89 (2), 163-173, 2021
62021
The sensitivity of folding free energy landscapes of trpzips to mutations in the hydrophobic core
M Gupta, P Khatua, C Chakravarty, S Bandyopadhyay
Physical Chemistry Chemical Physics 19 (34), 22813-22825, 2017
52017
Exploring Heterogeneous Dynamical Environment around an Ensemble of Aβ42 Peptide Monomer Conformations
P Khatua, M Gupta, S Bandyopadhyay
Journal of Chemical Information and Modeling 62 (14), 3453-3462, 2022
42022
Patterns in interactions of variably acetylated xylans with hydrophobic cellulose surfaces
M Gupta, P Dupree, L Petridis, JC Smith
Cellulose, 1-18, 2023
22023
Understanding catalyst inhibition from biogenic impurities in transfer hydrogenation of a biorenewable platform chemical
KV Haseena, M Gupta, A Madhu, A Narang, MI Alam, MA Haider
Journal of Environmental Chemical Engineering 10 (2), 107132, 2022
22022
Solvation of gold nanoparticles passivated with functionalized alkylthiols: A molecular dynamics study
S Prasad, M Gupta
Journal of Molecular Liquids 347, 118342, 2022
22022
In Silico Studies to Predict the Role of Solvent in Guiding the Conformations of Intrinsically Disordered Peptides and Their Aggregated Protofilaments
P Khatua, S Mondal, M Gupta, S Bandyopadhyay
ACS omega 7 (48), 43337-43345, 2022
12022
Effective deep eutectic solvent pretreatment in one-pot lignocellulose biorefinery for ethanol production
D Jose, S Vasudevan, P Venkatachalam, SK Maity, AA Septevani, ...
Industrial Crops and Products 222, 119626, 2024
2024
Understanding the Structural and Dynamic Changes that Relieve Inhibition of Impdh upon Horizontal Transfer of a Pathway for Coumarate Catabolism in E. coli
M Gupta, DM Close, CJ Cooper, X Wang, P Chirania, JR Ossyra, ...
Biophysical Journal 118 (3), 504a, 2020
2020
Noncovalent Interactions of Biogenic Impurities with Transition Metal Catalyst Surfaces
M Gupta, TS Khan, M Agarwal, MA Haider
Noncovalent Interactions in Catalysis, 527-547, 2019
2019
Understanding heterogeneous catalyst deactivation by biogenic impurities on Ni (111) surface and bimetallic alloy
M Gupta, TS Khan, S Gupta, MI Alam, M Agarwal, MA Haider
2017 AIChE Annual Meeting, 2017
2017
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