Bayly CI - Search Results

1

Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs.

McGaughey G, Bayly CI, Cox CD, Schreier JD, Breslin MJ, Bogusky M, Pitzenberger S, Ball R, Coleman PJ. McGaughey G, et al. Among authors: bayly ci. J Comput Aided Mol Des. 2014 Jan;28(1):5-12. doi: 10.1007/s10822-014-9710-x. Epub 2014 Feb 1. J Comput Aided Mol Des. 2014. PMID: 24488306 Free PMC article.

2

Comparison of topological, shape, and docking methods in virtual screening.

McGaughey GB, Sheridan RP, Bayly CI, Culberson JC, Kreatsoulas C, Lindsley S, Maiorov V, Truchon JF, Cornell WD. McGaughey GB, et al. Among authors: bayly ci. J Chem Inf Model. 2007 Jul-Aug;47(4):1504-19. doi: 10.1021/ci700052x. Epub 2007 Jun 26. J Chem Inf Model. 2007. PMID: 17591764

3

Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK.

Ellingson BA, Geballe MT, Wlodek S, Bayly CI, Skillman AG, Nicholls A. Ellingson BA, et al. Among authors: bayly ci. J Comput Aided Mol Des. 2014 Mar;28(3):289-98. doi: 10.1007/s10822-014-9720-8. Epub 2014 Mar 16. J Comput Aided Mol Des. 2014. PMID: 24633516 Free PMC article.

4

Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.

Côté B, Burch JD, Asante-Appiah E, Bayly C, Bédard L, Blouin M, Campeau LC, Cauchon E, Chan M, Chefson A, Coulombe N, Cromlish W, Debnath S, Deschênes D, Dupont-Gaudet K, Falgueyret JP, Forget R, Gagné S, Gauvreau D, Girardin M, Guiral S, Langlois E, Li CS, Nguyen N, Papp R, Plamondon S, Roy A, Roy S, Seliniotakis R, St-Onge M, Ouellet S, Tawa P, Truchon JF, Vacca J, Wrona M, Yan Y, Ducharme Y. Côté B, et al. Bioorg Med Chem Lett. 2014 Feb 1;24(3):917-22. doi: 10.1016/j.bmcl.2013.12.070. Epub 2013 Dec 24. Bioorg Med Chem Lett. 2014. PMID: 24412110

5

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

Truchon JF, Bayly CI. Truchon JF, et al. Among authors: bayly ci. J Chem Inf Model. 2007 Mar-Apr;47(2):488-508. doi: 10.1021/ci600426e. Epub 2007 Feb 9. J Chem Inf Model. 2007. PMID: 17288412

6

GLARE: a new approach for filtering large reagent lists in combinatorial library design using product properties.

Truchon JF, Bayly CI. Truchon JF, et al. Among authors: bayly ci. J Chem Inf Model. 2006 Jul-Aug;46(4):1536-48. doi: 10.1021/ci0504871. J Chem Inf Model. 2006. PMID: 16859286

7

Integrated Continuum Dielectric Approaches to treat Molecular Polarizability and the Condensed Phase: Refractive Index and Implicit Solvation.

Truchon JF, Nicholls A, Roux B, Iftimie RI, Bayly CI. Truchon JF, et al. Among authors: bayly ci. J Chem Theory Comput. 2009 Jul 14;5(7):1785-1802. doi: 10.1021/ct900029d. J Chem Theory Comput. 2009. PMID: 24826083 Free PMC article. No abstract available.

8

A generally applicable method for assessing the electrophilicity and reactivity of diverse nitrile-containing compounds.

Oballa RM, Truchon JF, Bayly CI, Chauret N, Day S, Crane S, Berthelette C. Oballa RM, et al. Among authors: bayly ci. Bioorg Med Chem Lett. 2007 Feb 15;17(4):998-1002. doi: 10.1016/j.bmcl.2006.11.044. Epub 2006 Nov 17. Bioorg Med Chem Lett. 2007. PMID: 17157022

9

Accurate Molecular Polarizabilities Based on Continuum Electrostatics.

Truchon JF, Nicholls A, Iftimie RI, Roux B, Bayly CI. Truchon JF, et al. Among authors: bayly ci. J Chem Theory Comput. 2008 Sep 9;4(9):1480-1493. doi: 10.1021/ct800123c. J Chem Theory Comput. 2008. PMID: 23646034 Free PMC article.

10

Beta-substituted cyclohexanecarboxamide cathepsin K inhibitors: modification of the 1,2-disubstituted aromatic core.

Robichaud J, Bayly CI, Black WC, Desmarais S, Léger S, Massé F, McKay DJ, Oballa RM, Pâquet J, Percival MD, Truchon JF, Wesolowski G, Crane SN. Robichaud J, et al. Among authors: bayly ci. Bioorg Med Chem Lett. 2007 Jun 1;17(11):3146-51. doi: 10.1016/j.bmcl.2007.03.028. Epub 2007 Mar 15. Bioorg Med Chem Lett. 2007. PMID: 17408953

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

56 results

Search Page