E-LIB Suche - Ergebnisse für: Pickett, Stephen D.

1

bbSelect – An Open-Source Tool for Performing a 3D Pharmaco..:

Rianjongdee, Francesco ; Palmer, David ; Pickett, Stephen D....
Journal of Chemical Information and Modeling. , 2024

2

Blinded Predictions and Post Hoc Analysis of the Second Sol..:

Conn, Jonathan G. M. ; Carter, James W. ; Conn, Justin J. A....
Journal of Chemical Information and Modeling. 63 (2023) 4 - p. 1099-1113 , 2023

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

3

Alchemical Free Energy Methods Applied to Complexes of the ..:

Guest, Ellen E. ; Cervantes, Luis F. ; Pickett, Stephen D...
Journal of Chemical Information and Modeling. 62 (2022) 6 - p. 1458-1470 , 2022

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

4

Free energy perturbation calculations of tetrahydroquinolin..:

Silva, Arnaldo F. ; Guest, Ellen E. ; Falcone, Bruno N....
Molecular Physics. 121 (2022) 9-10 - p. , 2022

Link: https://doi.org/10.1080/..

5

Structural variation of protein–ligand complexes of the fir..:

Guest, Ellen E. ; Pickett, Stephen D. ; Hirst, Jonathan D.
Organic & Biomolecular Chemistry. 19 (2021) 25 - p. 5632-5641 , 2021

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

6

Guidelines for Recurrent Neural Network Transfer Learning-B..:

Amabilino, Silvia ; Pogány, Peter ; Pickett, Stephen D..
Journal of Chemical Information and Modeling. 60 (2020) 12 - p. 5699-5713 , 2020

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

7

A Turing Test for Molecular Generators:

Bush, Jacob T. ; Pogany, Peter ; Pickett, Stephen D....
Journal of Medicinal Chemistry. 63 (2020) 20 - p. 11964-11971 , 2020

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

8

BRADSHAW: a system for automated molecular design:

Green, Darren V. S. ; Pickett, Stephen ; Luscombe, Chris...
Journal of Computer-Aided Molecular Design. 34 (2019) 7 - p. 747-765 , 2019

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

9

Correction to: BRADSHAW: a system for automated molecular d..:

Green, Darren V. S. ; Pickett, Stephen ; Luscombe, Chris...
Journal of Computer-Aided Molecular Design. 34 (2019) 7 - p. 767-767 , 2019

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

10

De Novo Molecule Design by Translating from Reduced Graphs ..:

Pogány, Peter ; Arad, Navot ; Genway, Sam.
Journal of Chemical Information and Modeling. 59 (2018) 3 - p. 1136-1146 , 2018

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

11

Nuisance Compounds, PAINS Filters, and Dark Chemical Matter..:

Chakravorty, Subhas J. ; Chan, James ; Greenwood, Marie Nicole...
SLAS Discovery. 23 (2018) 6 - p. 532-544 , 2018

Link: https://doi.org/10.1177/..

12

Design Principles for Fragment Libraries: Maximizing the Va..:

Keserű, György M. ; Erlanson, Daniel A. ; Ferenczy, György G....
Journal of Medicinal Chemistry. 59 (2016) 18 - p. 8189-8206 , 2016

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

13

Structurally Diverse Mitochondrial Branched Chain Aminotran..:

Borthwick, Jennifer A. ; Ancellin, Nicolas ; Bertrand, Sophie M....
Journal of Medicinal Chemistry. 59 (2016) 6 - p. 2452-2467 , 2016

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

14

Examining the relationship between cardiac troponin T and c..:

Ghosn, Mohamad G ; Pickett, Stephen ; Green, Patrick W...
Journal of Cardiovascular Magnetic Resonance. 17 (2015) - p. Q116 , 2015

Link: https://doi.org/10.1186/..

15

The Discovery of in Vivo Active Mitochondrial Branched-Chai..:

Bertrand, Sophie M. ; Ancellin, Nicolas ; Beaufils, Benjamin...
Journal of Medicinal Chemistry. 58 (2015) 18 - p. 7140-7163 , 2015

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