E-LIB Suche - Ergebnisse für: Merz, Kenneth M.

1

Editorial: Cutting-Edge Methodologies in Omics Data Analysi:

Merz, Kenneth M. ; Wei, Guowei ; Zhu, Feng
Journal of Chemical Information and Modeling. 64 (2024) 13 - p. 4939-4940 , 2024

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

2

Editorial: Machine Learning in Materials Science:

Merz, Kenneth M. ; Choong, Yee Siew ; Cournia, Zoe...
Journal of Chemical Information and Modeling. 64 (2024) 10 - p. 3959-3960 , 2024

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

3

Editorial: Machine Learning in Bio-cheminformatics:

Merz, Kenneth M. ; Wei, Guo-Wei ; Zhu, Feng
Journal of Chemical Information and Modeling. 64 (2024) 7 - p. 2125-2128 , 2024

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

4

End-to-End Differentiable Reactive Molecular Dynamics Simul..:

, In: Lecture Notes in Computer Science; High Performance Computing,

Kaymak, Mehmet Cagri ; Schoenholz, Samuel S. ; Cubuk, Ekin D.... - p. 202-219 , 2023

Link: https://doi.org/10.1007/..

5

Editorial: Harnessing the Power of Large Language Model-Bas..:

Merz, Kenneth M. ; Wei, Guo-Wei ; Zhu, Feng
Journal of Chemical Information and Modeling. 63 (2023) 17 - p. 5395-5395 , 2023

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

6

Editorial: Machine Learning in Bio-cheminformatics:

Merz, Kenneth M. ; Wei, Guo-Wei ; Zhu, Feng
Journal of Chemical Information and Modeling. 63 (2023) 1 - p. 1-1 , 2023

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

7

Modeling Reactions from Chemical Theories to Machine Learni..:

Naidoo, Kevin J. ; Merz, Kenneth M. ; Wei, Guo-Wei
Journal of Chemical Information and Modeling. 63 (2023) 23 - p. 7273-7273 , 2023

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

8

Editorial on Machine Learning:

Wei, Guo-Wei ; Zhu, Feng ; Merz, Kenneth M.
Journal of Chemical Information and Modeling. 62 (2022) 17 - p. 3941-3941 , 2022

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

9

Mechanism of Zinc Transport through the Zinc Transporter Yi..:

Sharma, Gaurav ; Merz, Kenneth M.
Journal of Chemical Theory and Computation. 18 (2022) 4 - p. 2556-2568 , 2022

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

10

Effect of an Inhibitor on the ACE2-Receptor-Binding Domain ..:

Sharma, Gaurav ; Song, Lin Frank ; Merz, Kenneth M.
Journal of Chemical Information and Modeling. 62 (2022) 24 - p. 6574-6585 , 2022

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

11

Formation of the Metal-Binding Core of the ZRT/IRT-like Pro..:

Sharma, Gaurav ; Merz, Kenneth M.
Biochemistry. 60 (2021) 36 - p. 2727-2738 , 2021

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

12

A critical overview of computational approaches employed fo..:

Muratov, Eugene N. ; Amaro, Rommie ; Andrade, Carolina H....
Chemical Society Reviews. 50 (2021) 16 - p. 9121-9151 , 2021

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

13

Trapping intermediates in metal transfer reactions of the C..:

Chacón, Kelly N. ; Perkins, Jonathan ; Mathe, Zachary...
Communications Biology. 1 (2018) 1 - p. , 2018

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

14

On the fly estimation of host–guest binding free energies u..:

Bansal, Nupur ; Zheng, Zheng ; Cerutti, David S..
Journal of Computer-Aided Molecular Design. 31 (2016) 1 - p. 47-60 , 2016

Link: https://doi.org/10.1007/..

15

Mechanistic Insights into Mg2+-Independent Prenylation by C..:

Bayse, Craig A. ; Merz, Kenneth M.
Biochemistry. 53 (2014) 30 - p. 5034-5041 , 2014

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