Bayly CI - Search Results

1

Using electronic polarization from the internal continuum (EPIC) for intermolecular interactions.

Truchon JF, Nicholl's A, Grant JA, Iftimie RI, Roux B, Bayly CI. Truchon JF, et al. Among authors: bayly ci. J Comput Chem. 2010 Mar;31(4):811-24. doi: 10.1002/jcc.21369. J Comput Chem. 2010. PMID: 19598266 Free PMC article.

2

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.

3

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.

4

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

5

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

6

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

7

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

8

Primary amides as selective inhibitors of cathepsin K.

Léger S, Bayly CI, Black WC, Desmarais S, Falgueyret JP, Massé F, Percival MD, Truchon JF. Léger S, et al. Among authors: bayly ci. Bioorg Med Chem Lett. 2007 Aug 1;17(15):4328-32. doi: 10.1016/j.bmcl.2007.05.024. Epub 2007 May 16. Bioorg Med Chem Lett. 2007. PMID: 17544269

9

Design and synthesis of dipeptidyl nitriles as potent, selective, and reversible inhibitors of cathepsin C.

Guay D, Beaulieu C, Truchon JF, Jagadeeswar Reddy T, Zamboni R, Bayly CI, Methot N, Rubin J, Ethier D, David Percival M. Guay D, et al. Among authors: bayly ci. Bioorg Med Chem Lett. 2009 Sep 15;19(18):5392-6. doi: 10.1016/j.bmcl.2009.07.114. Epub 2009 Jul 28. Bioorg Med Chem Lett. 2009. PMID: 19665376

10

Predicting small-molecule solvation free energies: an informal blind test for computational chemistry.

Nicholls A, Mobley DL, Guthrie JP, Chodera JD, Bayly CI, Cooper MD, Pande VS. Nicholls A, et al. Among authors: bayly ci. J Med Chem. 2008 Feb 28;51(4):769-79. doi: 10.1021/jm070549+. Epub 2008 Jan 24. J Med Chem. 2008. PMID: 18215013

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