E-LIB Suche - Ergebnisse für: St-Gallay, Stephen A.

1

Predicting protein–ligand binding affinity and correcting c..:

Lukac, Iva ; Abdelhakim, Hend ; Ward, Richard A....
Chemical Science. 10 (2019) 7 - p. 2218-2227 , 2019

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

2

A High-Throughput Screening Triage Workflow to Authenticate..:

St-Gallay, Stephen A. ; Bennett, Neil ; Critchlow, Susan E....
SLAS Discovery. 23 (2018) 1 - p. 11-22 , 2018

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

3

Turbocharging Matched Molecular Pair Analysis: Optimizing t..:

Lukac, Iva ; Zarnecka, Joanna ; Griffen, Edward J....
Journal of Chemical Information and Modeling. 57 (2017) 10 - p. 2424-2436 , 2017

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

4

Impact of ion class and time on oral drug molecular propert..:

Leeson, Paul D. ; St-Gallay, Stephen A. ; Wenlock, Mark C.
Med. Chem. Commun.. 2 (2011) 2 - p. 91-105 , 2011

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

5

WizePairZ: a novel algorithm to identify, encode, and explo..:

Warner, Dan J ; St-Gallay, Stephen A ; Griffen, Edward J
Journal of Cheminformatics. 3 (2011) S1 - p. , 2011

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

6

Design driven HtL: The discovery and synthesis of new high ..:

Stocks, Michael J. ; Alcaraz, Lilian ; Bailey, Andrew...
Bioorganic & Medicinal Chemistry Letters. 21 (2011) 13 - p. 4027-4031 , 2011

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

7

Strategies to improve in vivo toxicology outcomes for basic..:

Luker, Tim ; Alcaraz, Lilian ; Chohan, Kamaldeep K....
Bioorganic & Medicinal Chemistry Letters. 21 (2011) 19 - p. 5673-5679 , 2011

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

8

WizePairZ: A Novel Algorithm to Identify, Encode, and Explo..:

Warner, Daniel J. ; Griffen, Edward J. ; St-Gallay, Stephen A.
Journal of Chemical Information and Modeling. 50 (2010) 8 - p. 1350-1357 , 2010

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

9

Anchored plasticity opens doors for selective inhibitor des..:

Garcin, Elsa D ; Arvai, Andrew S ; Rosenfeld, Robin J...
Nature Chemical Biology. 4 (2008) 11 - p. 700-707 , 2008

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

10

Optimization of Monocarboxylate Transporter 1 Blockers thro..:

Guile, Simon D. ; Bantick, John R. ; Cooper, Martin E....
Journal of Medicinal Chemistry. 50 (2006) 2 - p. 254-263 , 2006

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

11

2-Aminopyridines as Highly Selective Inducible Nitric Oxide..:

Connolly, Stephen ; Aberg, Anders ; Arvai, Andrew...
Journal of Medicinal Chemistry. 47 (2004) 12 - p. 3320-3323 , 2004

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

12

Predicting protein-ligand binding affinity and correcting c..:

Lukac, Iva ; Abdelhakim, Hend ; Ward, Richard A...
Lukac , I , Abdelhakim , H , Ward , R A , St-Gallay , S A , Madden , J C & Leach , A G 2019 , ' Predicting protein-ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A ' , Chemical Science , vol. 10 , no. 7 , pp. 2218-2227 . https://doi.org/10.1039/c8sc04564j. , 2019

Link: https://research.manches..

13

WizePairZ: a novel algorithm to identify, encode, and explo..:

Warner Dan J ; St-Gallay Stephen A ; Griffen Edward J
https://doaj.org/toc/1758-2946. , 2011

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

14

WizePairZ: a novel algorithm to identify, encode, and explo..:

Warner, Dan J ; St-Gallay, Stephen A ; Griffen, Edward J
http://www.jcheminf.com/content/3/S1/O9. , 2011

Link: http://www.jcheminf.com/..

15

Anchored plasticity opens doors for selective inhibitor des..:

Garcin, Elsa D ; Arvai, Andrew S ; Rosenfeld, Robin J...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2868503. , 2008

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