E-LIB Suche - Ergebnisse für: Horton, Joshua T.

1

Development and benchmarking of a self-consistent force fie..:

Cavender, Chapin E. ; Behara, Pavan K. ; Dotson, David L....
Biophysical Journal. 123 (2024) 3 - p. 421a , 2024

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

2

A transferable double exponential potential for condensed p..:

Horton, Joshua T. ; Boothroyd, Simon ; Behara, Pavan Kumar..
Digital Discovery. 2 (2023) 4 - p. 1178-1187 , 2023

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

3

Fast, conformation-independent charges with graph convoluti..:

Wang, Lily ; Boothroyd, Simon ; Horton, Joshua T....
Biophysical Journal. 122 (2023) 3 - p. 36a , 2023

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

4

Development and Benchmarking of Open Force Field 2.0.0: The..:

Boothroyd, Simon ; Behara, Pavan Kumar ; Madin, Owen C....
Journal of Chemical Theory and Computation. 19 (2023) 11 - p. 3251-3275 , 2023

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

5

Development and benchmarking of an open, self-consistent fo..:

Cavender, Chapin E. ; Behara, Pavan K. ; Boothroyd, Simon...
Biophysical Journal. 122 (2023) 3 - p. 421a , 2023

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

6

Open Force Field BespokeFit: Automating Bespoke Torsion Par..:

Horton, Joshua T. ; Boothroyd, Simon ; Wagner, Jeffrey...
Journal of Chemical Information and Modeling. 62 (2022) 22 - p. 5622-5633 , 2022

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

7

Exploration and validation of force field design protocols ..:

Ringrose, Chris ; Horton, Joshua T. ; Wang, Lee-Ping.
Physical Chemistry Chemical Physics. 24 (2022) 28 - p. 17014-17027 , 2022

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

8

An open-source molecular builder and free energy preparatio..:

Bieniek, Mateusz K. ; Cree, Ben ; Pirie, Rachael...
Communications Chemistry. 5 (2022) 1 - p. , 2022

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

9

Collaborative Assessment of Molecular Geometries and Energi..:

D'Amore, Lorenzo ; Hahn, David F. ; Dotson, David L....
Journal of Chemical Information and Modeling. 62 (2022) 23 - p. 6094-6104 , 2022

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

10

Modeling Molecular Emitters in Organic Light-Emitting Diode..:

Yang, Lupeng ; Horton, Joshua T. ; Payne, Michael C...
Journal of Chemical Theory and Computation. 17 (2021) 8 - p. 5021-5033 , 2021

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

11

Implementation of the QUBE Force Field in SOMD for High-Thr..:

Nelson, Lauren ; Bariami, Sofia ; Ringrose, Chris...
Journal of Chemical Information and Modeling. 61 (2021) 5 - p. 2124-2130 , 2021

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

12

"O's for Oblivion:" Ephemeral Bibelots and Trans* Subcultur..:

Horton, Joshua T
The Journal of American Culture. 44 (2021) 4 - p. 278-290 , 2021

Link: https://doi.org/10.1111/..

13

Quantum Chemistry Common Driver and Databases (QCDB) and Qu..:

Smith, Daniel G. A. ; Lolinco, Annabelle T. ; Glick, Zachary L....
The Journal of Chemical Physics. 155 (2021) 20 - p. , 2021

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

14

Modelling flexible protein–ligand binding in p38α MAP kinas..:

Horton, Joshua T. ; Allen, Alice E. A. ; Cole, Daniel J.
Chemical Communications. 56 (2020) 6 - p. 932-935 , 2020

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

15

QUBEKit: Automating the Derivation of Force Field Parameter..:

Horton, Joshua T. ; Allen, Alice E. A. ; Dodda, Leela S..
Journal of Chemical Information and Modeling. 59 (2019) 4 - p. 1366-1381 , 2019

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