E-LIB Suche - Ergebnisse für: David L. Mobley - Sprache DE

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1

Building Block-Based Binding Predictions for DNA-Encoded Li..:

Zhang, Chris ; Pitman, Mary ; Dixit, Anjali...
qt02p387r6. , 2023

Link: https://escholarship.org..

2

PopShift: A thermodynamically sound approach to estimate bi..:

Smith, Louis G ; Novak, Borna ; Osato, Meghan..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10370083/. , 2023

Link: http://www.ncbi.nlm.nih...

3

openforcefield/openff-forcefields:

Behara, Pavan Kumar ; Gokey, Trevor ; Cavender, Chapin...
https://github.com/openforcefield/openff-forcefields/tree/2023.05.0. , 2023

Link: https://zenodo.org/recor..

4

2023 OMSF Symposium - OpenFF Keynote Talk:

David Mobley ; Jeffrey Wagner ; Lily Wang
doi:10.5281/zenodo.8044737. , 2023

Link: https://zenodo.org/recor..

5

Enhanced Grand Canonical Sampling of Occluded Water Sites U..:

Melling, Oliver J ; Samways, Marley L ; Ge, Yunhui..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9933432/. , 2023

Link: http://www.ncbi.nlm.nih...

6

openforcefield/openff-forcefields:

Behara, Pavan Kumar ; Gokey, Trevor ; Cavender, Chapin...
https://github.com/openforcefield/openff-forcefields/tree/2023.06.0. , 2023

Link: https://zenodo.org/recor..

7

Open Force Field Consortium Overview 2023:

Mobley, David L ; Baggs Eastwood, James
doi:10.5281/zenodo.8144798. , 2023

Link: https://zenodo.org/recor..

8

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

Cavender, Chapin E ; Behara, Pavan K ; Boothroyd, Simon...
doi:10.5281/zenodo.7696578. , 2023

Link: https://zenodo.org/recor..

9

Breaking free from ligand similarity restrictions in bindin..:

Hannah M. Baumann ; Richard J. Gowers ; David L. Mobley
doi:10.5281/zenodo.8398287. , 2023

Link: https://zenodo.org/recor..

10

openforcefield/openff-toolkit: 0.10.7 Bugfix release:

Jeff Wagner ; Matt Thompson ; David L. Mobley...
https://github.com/openforcefield/openff-toolkit/tree/0.10.7. , 2023

Link: https://zenodo.org/recor..

11

openforcefield/openff-toolkit: 0.14.4 Minor feature release:

Jeff Wagner ; Matt Thompson ; David L. Mobley...
https://github.com/openforcefield/openff-toolkit/tree/0.14.4. , 2023

Link: https://zenodo.org/recor..

12

Development of a self-consistent force field for proteins a..:

Cavender, Chapin E ; Behara, Pavan K ; Boothroyd, Simon...
doi:10.5281/zenodo.7694827. , 2023

Link: https://zenodo.org/recor..

13

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

Boothroyd, Simon ; Behara, Pavan Kumar ; Madin, Owen C...
qt35b7v1pz. , 2023

Link: https://escholarship.org..

14

Structure-Based Experimental Datasets for Benchmarking of P..:

Cavender, Chapin E ; Case, David A ; Chen, Julian C.-H...
info:eu-repo/grantAgreement/AKA//319902/. , 2023

Link: https://zenodo.org/recor..

15

A transferable double exponential potential for condensed p..:

Horton, Joshua T ; Boothroyd, Simon ; Behara, Pavan Kumar..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10408570/. , 2023

Link: http://www.ncbi.nlm.nih...

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