E-LIB Suche - Ergebnisse für: Cole, Daniel

1

The Open Force Field Initiative: Open Software and Open Sci..:

Wang, Lily ; Behara, Pavan Kumar ; Thompson, Matthew W....
The Journal of Physical Chemistry B. 128 (2024) 29 - p. 7043-7067 , 2024

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

2

Riemannian geometry and molecular similarity I: spectrum of..:

Hall, Stuart J. ; Pirie, Rachael ; Cole, Daniel J.
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. 480 (2024) 2284 - p. , 2024

Link: https://doi.org/10.1098/..

3

Comparing the quality of ChatGPT- and physician-generated r..:

Reynolds, Kelly ; Nadelman, Daniel ; Durgin, Joseph...
Clinical and Experimental Dermatology. 49 (2024) 7 - p. 715-718 , 2024

Link: https://doi.org/10.1093/..

4

Structure and fragmentation of doubly ionized HNCS:

Wallner, Måns ; Olsson, Emelie ; Ideböhn, Veronica...
The Journal of Chemical Physics. 161 (2024) 4 - p. , 2024

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

5

Benchmarking Quantum Mechanical Levels of Theory for Valenc..:

Behara, Pavan Kumar ; Jang, Hyesu ; Horton, Joshua T....
The Journal of Physical Chemistry B. 128 (2024) 32 - p. 7888-7902 , 2024

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

6

An analysis of the physicochemical properties of oral drugs..:

Pirie, Rachael ; Stanway-Gordon, Harriet A. ; Stewart, Hannah L....
RSC Medicinal Chemistry. , 2024

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

7

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/..

8

Myosin-5 varies its step length to carry cargo straight alo..:

Fineberg, Adam ; Takagi, Yasuharu ; Thirumurugan, Kavitha...
Proceedings of the National Academy of Sciences. 121 (2024) 13 - p. , 2024

Link: https://doi.org/10.1073/..

9

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/..

10

Comparison of Receptor–Ligand Restraint Schemes for Alchemi..:

Clark, Finlay ; Robb, Graeme ; Cole, Daniel J..
Journal of Chemical Theory and Computation. 19 (2023) 12 - p. 3686-3704 , 2023

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

11

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/..

12

Authentic Assessment Through Professional Conversations: An..:

Cole, Daniel
Journal of Perspectives in Applied Academic Practice. 11 (2023) 3 - p. , 2023

Link: https://doi.org/10.56433..

13

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/..

14

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/..

15

Dark matter-electron interactions in materials beyond the d..:

Catena, Riccardo ; Cole, Daniel ; Emken, Timon...
Journal of Cosmology and Astroparticle Physics. 2023 (2023) 3 - p. 052 , 2023

Link: https://doi.org/10.1088/..