E-LIB Suche - Ergebnisse für: Geronimo, Inacrist

1

Computer-aided identification, synthesis, and biological ev..:

Munafò, Federico ; Nigro, Michela ; Brindani, Nicoletta...
European Journal of Medicinal Chemistry. 248 (2023) - p. 115044 , 2023

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

2

On the Role of Molecular Conformation of the 8-Oxoguanine L..:

Geronimo, Inacrist ; Vidossich, Pietro ; De Vivo, Marco
Journal of Chemical Information and Modeling. 63 (2023) 5 - p. 1521-1528 , 2023

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

3

Alchemical Free-Energy Calculations of Watson–Crick and Hoo..:

Geronimo, Inacrist ; De Vivo, Marco
Journal of Chemical Theory and Computation. 18 (2022) 11 - p. 6966-6973 , 2022

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

4

Cover Image, Volume 11, Issue 6:

Geronimo, Inacrist ; Vidossich, Pietro ; Donati, Elisa.
WIREs Computational Molecular Science. 11 (2021) 6 - p. , 2021

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

5

Local Structural Dynamics at the Metal-Centered Catalytic S..:

Geronimo, Inacrist ; Vidossich, Pietro ; De Vivo, Marco
ACS Catalysis. 11 (2021) 22 - p. 14110-14121 , 2021

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

6

Computational investigations of polymerase enzymes: Structu..:

Geronimo, Inacrist ; Vidossich, Pietro ; Donati, Elisa.
WIREs Computational Molecular Science. 11 (2021) 6 - p. , 2021

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

7

Kinetic and molecular dynamics study of inhibition and tran..:

Geronimo, Inacrist ; Ntarima, Patricia ; Piens, Kathleen...
Journal of Biological Chemistry. 294 (2019) 9 - p. 3169-3180 , 2019

Link: https://doi.org/10.1074/..

8

The role of catalytic residue pKa on the hydrolysis/transgl..:

Geronimo, Inacrist ; Payne, Christina M. ; Sandgren, Mats
Organic & Biomolecular Chemistry. 16 (2018) 2 - p. 316-324 , 2018

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

9

Hydrolysis and Transglycosylation Transition States of Glyc..:

Geronimo, Inacrist ; Payne, Christina M. ; Sandgren, Mats
The Journal of Physical Chemistry B. 122 (2018) 41 - p. 9452-9459 , 2018

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

10

Desulfination by 2′-hydroxybiphenyl-2-sulfinate desulfinase..:

Geronimo, Inacrist ; Nigam, Shawn R. ; Payne, Christina M.
Chemical Science. 8 (2017) 7 - p. 5078-5086 , 2017

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

11

Analyzing sites of OH radical attack (ring vs. side chain) ..:

Zhang, Ning ; Geronimo, Inacrist ; Paneth, Piotr...
Science of The Total Environment. 542 (2016) - p. 484-494 , 2016

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

12

Effect of Mutation and Substrate Binding on the Stability o..:

Geronimo, Inacrist ; Denning, Catherine A. ; Rogers, W. Eric...
Biochemistry. 55 (2016) 25 - p. 3594-3606 , 2016

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

13

A DFT and ONIOM study of C–H hydroxylation catalyzed by nit..:

Geronimo, Inacrist ; Paneth, Piotr
Phys. Chem. Chem. Phys.. 16 (2014) 27 - p. 13889-13899 , 2014

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

14

Molecular Dynamics Simulation of Nitrobenzene Dioxygenase U..:

Pabis, Anna ; Geronimo, Inacrist ; York, Darrin M..
Journal of Chemical Theory and Computation. 10 (2014) 6 - p. 2246-2254 , 2014

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

15

Cytochrome P450-catalyzed dealkylation of atrazine byRhodoc..:

Meyer, Armin H. ; Dybala-Defratyka, Agnieszka ; Alaimo, Peter J....
Dalton Trans.. 43 (2014) 32 - p. 12175-12186 , 2014

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