E-LIB Suche - Ergebnisse für: Dutta Dubey, Kshatresh

1

Structural assessment of OsNIP2;1 highlighted critical resi..:

Sharma, Yogesh ; Thakral, Vandana ; Raturi, Gaurav...
Journal of Advanced Research. 58 (2024) - p. 1-11 , 2024

Link: https://doi.org/10.1016/..

2

Esterase Specific Fluorescent Probe: Mechanistic Understand..:

Yadav, Rashmi ; Munan, Subrata ; Kardam, Vandana..
Chemistry – A European Journal. 29 (2023) 32 - p. , 2023

Link: https://doi.org/10.1002/..

3

Cover Feature: Combined MD and QM/MM Calculations Reveal Al..:

Tripathi, Ankita ; Dutta Dubey, Kshatresh
Chemistry – An Asian Journal. 17 (2022) 16 - p. , 2022

Link: https://doi.org/10.1002/..

4

Capturing a Pentacyclic Fragment‐Based Library Derived from..:

Guha, Souvik ; Yussif El‐Deeb, Ibrahim ; Yadav, Shalini...
Chemistry – A European Journal. 28 (2022) 63 - p. , 2022

Link: https://doi.org/10.1002/..

5

Combined MD and QM/MM Calculations Reveal Allostery‐Driven ..:

Tripathi, Ankita ; Dutta Dubey, Kshatresh
Chemistry – An Asian Journal. 17 (2022) 16 - p. , 2022

Link: https://doi.org/10.1002/..

6

Solvent Organization and Rate Regulation of a Menshutkin Re..:

Dutta Dubey, Kshatresh ; Stuyver, Thijs ; Kalita, Surajit.
Journal of the American Chemical Society. 142 (2020) 22 - p. 9955-9965 , 2020

Link: https://doi.org/10.1021/..

7

Synthesis ADMET molecular docking, MD simulation and MM-PBS..:

Srivastava, Sangeeta ; Pandey, Saumya ; Kumar, Anant..
Journal of Molecular Structure. 1321 (2025) - p. 139783 , 2025

Link: https://doi.org/10.1016/..

8

Molecular basis of the reaction mechanism of the methyltran..:

Kaldis, Philipp ; Zhao, Li Na ; Dubey, Kshatresh Dutta
PLOS ONE. 19 (2024) 1 - p. e0293243 , 2024

Link: https://doi.org/10.1371/..

9

Editorial: Computational aspects of biomolecular recognitio..:

Srivastava, Ambrish Kumar ; Karnati, Konda Reddy ; Dubey, Kshatresh Dutta
Frontiers in Chemistry. 12 (2024) - p. , 2024

Link: https://doi.org/10.3389/..

10

Metadynamics simulations reveal mechanisms of Na+ and Ca2+ ..:

Prignano, Lindsey A. ; Stevens, Mark J. ; Vanegas, Juan M....
PLOS ONE. 19 (2024) 9 - p. e0309553 , 2024

Link: https://doi.org/10.1371/..

11

Amyloidogenic Propensity of Metabolites in the Uric Acid Pa..:

Patel, Monisha ; Jaiswal, Ankita ; Naseer, Anam...
ACS Chemical Neuroscience. 15 (2024) 5 - p. 916-931 , 2024

Link: https://doi.org/10.1021/..

12

On the engineering of reductase-based-monooxygenase activit..:

Yadav, Shalini ; Shaik, Sason ; Dubey, Kshatresh Dutta
Chemical Science. 15 (2024) 14 - p. 5174-5186 , 2024

Link: https://doi.org/10.1039/..

13

Building an ab initio solvated DNA model using Euclidean ne..:

Lee, Alex J. ; Rackers, Joshua A. ; Pathak, Shivesh..
PLOS ONE. 19 (2024) 2 - p. e0297502 , 2024

Link: https://doi.org/10.1371/..

14

Phytocompounds as versatile drug-leads targeting mProtease ..:

Dwivedi, Manish ; Devi, Sreevidya S. ; Singh, Sukriti...
Journal of Biomaterials Science, Polymer Edition. , 2024

Link: https://doi.org/10.1080/..

15

An engineered thermally tolerant apo-cytochrome scaffold fo..:

Ben Aoun, Sami ; Ibrahim, Sheikh Muhammad ; Dubey, Kshatresh Dutta
PLOS ONE. 18 (2023) 11 - p. e0293972 , 2023

Link: https://doi.org/10.1371/..