E-LIB Suche - Ergebnisse für: Warren, Gregory L.

1

Fragment Pose Prediction Using Non-equilibrium Candidate Mo..:

Lim, Nathan M. ; Osato, Meghan ; Warren, Gregory L..
Journal of Chemical Theory and Computation. 16 (2020) 4 - p. 2778-2794 , 2020

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

2

Biomolecular Solvation Structure Revealed by Molecular Dyna..:

Wall, Michael E. ; Calabró, Gaetano ; Bayly, Christopher I...
Journal of the American Chemical Society. 141 (2019) 11 - p. 4711-4720 , 2019

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

3

Improved ligand geometries in crystallographic refinement u..:

Janowski, Pawel A. ; Moriarty, Nigel W. ; Kelley, Brian P....
Acta Crystallographica Section D Structural Biology. 72 (2016) 9 - p. 1062-1072 , 2016

Link: https://doi.org/10.1107/..

4

POSIT: Flexible Shape-Guided Docking For Pose Prediction:

Kelley, Brian P. ; Brown, Scott P. ; Warren, Gregory L..
Journal of Chemical Information and Modeling. 55 (2015) 8 - p. 1771-1780 , 2015

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

5

The application of statistical methods to cognate docking: ..:

Stahl, Gunther ; Hawkins, Paul CD ; McGann, Mark..
Journal of Cheminformatics. 6 (2014) S1 - p. , 2014

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

6

The Application of Statistical Methods to Cognate Docking: ..:

Hawkins, Paul C. D. ; Kelley, Brian P. ; Warren, Gregory L.
Journal of Chemical Information and Modeling. 54 (2014) 5 - p. 1339-1355 , 2014

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

7

Essential considerations for using protein–ligand structure..:

Warren, Gregory L. ; Do, Thanh D. ; Kelley, Brian P...
Drug Discovery Today. 17 (2012) 23-24 - p. 1270-1281 , 2012

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

8

Molecular Shape and Medicinal Chemistry: A Perspective:

Nicholls, Anthony ; McGaughey, Georgia B. ; Sheridan, Robert P....
Journal of Medicinal Chemistry. 53 (2010) 10 - p. 3862-3886 , 2010

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

9

Conformer Generation with OMEGA: Algorithm and Validation U..:

Hawkins, Paul C. D. ; Skillman, A. Geoffrey ; Warren, Gregory L...
Journal of Chemical Information and Modeling. 50 (2010) 4 - p. 572-584 , 2010

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

10

How to do an evaluation: pitfalls and traps:

Hawkins, Paul C. D. ; Warren, Gregory L. ; Skillman, A. Geoffrey.
Journal of Computer-Aided Molecular Design. 22 (2008) 3-4 - p. 179-190 , 2008

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

11

How to do an evaluation: pitfalls and traps:

Hawkins, Paul C. D. ; Warren, Gregory L. ; Skillman, A. Geoffrey.
Journal of Computer-Aided Molecular Design. 22 (2008) 3-4 - p. 191-192 , 2008

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

12

Identification of 4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-eth..:

Heerding, Dirk A. ; Rhodes, Nelson ; Leber, Jack D....
Journal of Medicinal Chemistry. 51 (2008) 18 - p. 5663-5679 , 2008

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

13

Phase II trial of thalidomide as maintenance therapy for ex..:

Dowlati, Afshin ; Subbiah, Shanmuga ; Cooney, Matthew...
Lung Cancer. 56 (2007) 3 - p. 377-381 , 2007

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

14

A Critical Assessment of Docking Programs and Scoring Funct..:

Warren, Gregory L. ; Andrews, C. Webster ; Capelli, Anna-Maria...
Journal of Medicinal Chemistry. 49 (2005) 20 - p. 5912-5931 , 2005

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

15

Aminoalkoxybenzyl pyrrolidines as novel human urotensin-II ..:

Jin, Jian ; Dhanak, Dashyant ; Knight, Steven D....
Bioorganic & Medicinal Chemistry Letters. 15 (2005) 13 - p. 3229-3232 , 2005

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