E-LIB Suche - Ergebnisse für: Crain, Jason

1

Nonadiabatic Nuclear–Electron Dynamics: A Quantum Computing..:

Kovyrshin, Arseny ; Skogh, Mårten ; Tornberg, Lars...
The Journal of Physical Chemistry Letters. 14 (2023) 31 - p. 7065-7072 , 2023

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

2

A quantum computing implementation of nuclearelectronic orb..:

Kovyrshin, Arseny ; Skogh, Mårten ; Broo, Anders...
The Journal of Chemical Physics. 158 (2023) 21 - p. , 2023

Link: https://doi.org/10.1063/..

3

Influence of electronic polarization in a chloride-pumping ..:

Phan, Linda X. ; Martinez-Seara, Hector ; Crain, Jason..
Biophysical Journal. 122 (2023) 3 - p. 112a-113a , 2023

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

4

Influence of electronic polarization on the binding of anio..:

Phan, Linda X. ; Chamorro, Victor Cruces ; Martinez-Seara, Hector...
Biophysical Journal. 122 (2023) 8 - p. 1548-1556 , 2023

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

5

Structure adaptation in Omicron SARS-CoV-2/hACE2: Biophysic..:

Hsiao, Ya-Wen ; Bray, David J. ; Taddese, Tseden..
Biophysical Journal. 122 (2023) 20 - p. 4057-4067 , 2023

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

6

Coarse-grained intermolecular interactions on quantum proce..:

Anderson, Lewis W. ; Kiffner, Martin ; Barkoutsos, Panagiotis Kl....
Physical Review A. 105 (2022) 6 - p. , 2022

Link: https://doi.org/10.1103/..

7

Small molecules enhance the potency of natural antimicrobia..:

Losasso, Valeria ; Agarwal, Khushbu ; Waskar, Morris...
Biophysical Journal. 121 (2022) 3 - p. 491-501 , 2022

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

8

Influence of effective polarization on ion and water intera..:

Phan, Linda X. ; Lynch, Charlotte I. ; Crain, Jason..
Biophysical Journal. 121 (2022) 11 - p. 2014-2026 , 2022

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

9

Simulation of large molecular systems with electronically-d..:

Castangna, Jony ; Martelli, Fausto ; Jordan, Kirk E..
Computer Physics Communications. 264 (2021) - p. 107959 , 2021

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

10

Switching Cytolytic Nanopores into Antimicrobial Fractal Ru..:

Hammond, Katharine ; Cipcigan, Flaviu ; Al Nahas, Kareem...
ACS Nano. 15 (2021) 6 - p. 9679-9689 , 2021

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

11

Membrane Binding of Antimicrobial Peptides Is Modulated by ..:

Simcock, Patrick W. ; Bublitz, Maike ; Cipcigan, Flaviu...
Journal of Chemical Theory and Computation. 17 (2021) 2 - p. 1218-1228 , 2021

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

12

Author Correction: Accelerated antimicrobial discovery via ..:

Das, Payel ; Sercu, Tom ; Wadhawan, Kahini...
Nature Biomedical Engineering. 5 (2021) 8 - p. 942-942 , 2021

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

13

Accelerated antimicrobial discovery via deep generative mod..:

Das, Payel ; Sercu, Tom ; Wadhawan, Kahini...
Nature Biomedical Engineering. 5 (2021) 6 - p. 613-623 , 2021

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

14

Network Topology in Water Nanoconfined between Phospholipid..:

Martelli, Fausto ; Crain, Jason ; Franzese, Giancarlo
ACS Nano. 14 (2020) 7 - p. 8616-8623 , 2020

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

15

Membrane Permeability in Cyclic Peptides is Modulated by Co..:

Cipcigan, Flaviu ; Smith, Paul ; Crain, Jason...
Journal of Chemical Information and Modeling. 61 (2020) 1 - p. 263-269 , 2020

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