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

1

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/..

2

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/..

3

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/..

4

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/..

5

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/..

6

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/..

7

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/..

8

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/..

9

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/..

10

Decarboxylation and Protonation Enigma in the H85Q Mutant o..:

Yadav, Shalini ; Shaik, Sason ; Dubey, Kshatresh Dutta
The Journal of Physical Chemistry B. 127 (2023) 13 - p. 2927-2933 , 2023

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

11

Development of indolealkylamine derivatives as potential mu..:

Chauhan, Jyoti ; Cecon, Erika ; Labani, Nedjma...
European Journal of Medicinal Chemistry. 249 (2023) - p. 115152 , 2023

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

12

Computational insights on the hydride and proton transfer m..:

Yildiz, Ibrahim ; Dubey, Kshatresh Dutta
PLOS ONE. 18 (2023) 11 - p. e0290901 , 2023

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

13

Design and Synthesis of Co‐initiators via Base‐Catalysed Se..:

Ahmad, Asrar ; Siddiqui, Shakir Ali ; Mittal, Garvisha...
Chemistry – A European Journal. 29 (2023) 57 - p. , 2023

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

14

Nanomachines in living matters: the soft-robot cytochrome P..:

Shaik, Sason ; Dubey, Kshatresh Dutta
Trends in Chemistry. 5 (2023) 10 - p. 763-774 , 2023

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

15

Unraveling topoisomerase IA gate dynamics in presence of PP..:

Maurya, Vikas ; Singh, Raja ; Singh, Reman Kumar...
Communications Biology. 6 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..