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Items: 1 to 20 of 29

1.

Naïve Bayesian Models for Vero Cell Cytotoxicity.

Perryman AL, Patel JS, Russo R, Singleton E, Connell N, Ekins S, Freundlich JS.

Pharm Res. 2018 Jun 29;35(9):170. doi: 10.1007/s11095-018-2439-9.

PMID:
29959603
2.

The A-Z of Zika drug discovery.

Mottin M, Borba JVVB, Braga RC, Torres PHM, Martini MC, Proenca-Modena JL, Judice CC, Costa FTM, Ekins S, Perryman AL, Horta Andrade C.

Drug Discov Today. 2018 Nov;23(11):1833-1847. doi: 10.1016/j.drudis.2018.06.014. Epub 2018 Jun 20. Review.

PMID:
29935345
3.

Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery.

Lane T, Russo DP, Zorn KM, Clark AM, Korotcov A, Tkachenko V, Reynolds RC, Perryman AL, Freundlich JS, Ekins S.

Mol Pharm. 2018 Oct 1;15(10):4346-4360. doi: 10.1021/acs.molpharmaceut.8b00083. Epub 2018 Apr 26.

PMID:
29672063
4.

Novel Pyrimidines as Antitubercular Agents.

Inoyama D, Paget SD, Russo R, Kandasamy S, Kumar P, Singleton E, Occi J, Tuckman M, Zimmerman MD, Ho HP, Perryman AL, Dartois V, Connell N, Freundlich JS.

Antimicrob Agents Chemother. 2018 Feb 23;62(3). pii: e02063-17. doi: 10.1128/AAC.02063-17. Print 2018 Mar.

5.

Addressing the Metabolic Stability of Antituberculars through Machine Learning.

Stratton TP, Perryman AL, Vilchèze C, Russo R, Li SG, Patel JS, Singleton E, Ekins S, Connell N, Jacobs WR Jr, Freundlich JS.

ACS Med Chem Lett. 2017 Sep 14;8(10):1099-1104. doi: 10.1021/acsmedchemlett.7b00299. eCollection 2017 Oct 12.

6.

Molecular dynamics simulations of Zika virus NS3 helicase: Insights into RNA binding site activity.

Mottin M, Braga RC, da Silva RA, Silva JHMD, Perryman AL, Ekins S, Andrade CH.

Biochem Biophys Res Commun. 2017 Oct 28;492(4):643-651. doi: 10.1016/j.bbrc.2017.03.070. Epub 2017 Mar 21.

PMID:
28341122
7.

A Novel Small-Molecule Inhibitor of the Mycobacterium tuberculosis Demethylmenaquinone Methyltransferase MenG Is Bactericidal to Both Growing and Nutritionally Deprived Persister Cells.

Sukheja P, Kumar P, Mittal N, Li SG, Singleton E, Russo R, Perryman AL, Shrestha R, Awasthi D, Husain S, Soteropoulos P, Brukh R, Connell N, Freundlich JS, Alland D.

MBio. 2017 Feb 14;8(1). pii: e02022-16. doi: 10.1128/mBio.02022-16.

8.

Non-classical transpeptidases yield insight into new antibacterials.

Kumar P, Kaushik A, Lloyd EP, Li SG, Mattoo R, Ammerman NC, Bell DT, Perryman AL, Zandi TA, Ekins S, Ginell SL, Townsend CA, Freundlich JS, Lamichhane G.

Nat Chem Biol. 2017 Jan;13(1):54-61. doi: 10.1038/nchembio.2237. Epub 2016 Nov 7.

9.

OpenZika: An IBM World Community Grid Project to Accelerate Zika Virus Drug Discovery.

Ekins S, Perryman AL, Horta Andrade C.

PLoS Negl Trop Dis. 2016 Oct 20;10(10):e0005023. doi: 10.1371/journal.pntd.0005023. eCollection 2016 Oct.

10.

Machine Learning Model Analysis and Data Visualization with Small Molecules Tested in a Mouse Model of Mycobacterium tuberculosis Infection (2014-2015).

Ekins S, Perryman AL, Clark AM, Reynolds RC, Freundlich JS.

J Chem Inf Model. 2016 Jul 25;56(7):1332-43. doi: 10.1021/acs.jcim.6b00004. Epub 2016 Jul 1.

11.

Predicting Mouse Liver Microsomal Stability with "Pruned" Machine Learning Models and Public Data.

Perryman AL, Stratton TP, Ekins S, Freundlich JS.

Pharm Res. 2016 Feb;33(2):433-49. doi: 10.1007/s11095-015-1800-5. Epub 2015 Sep 28.

12.

A virtual screen discovers novel, fragment-sized inhibitors of Mycobacterium tuberculosis InhA.

Perryman AL, Yu W, Wang X, Ekins S, Forli S, Li SG, Freundlich JS, Tonge PJ, Olson AJ.

J Chem Inf Model. 2015 Mar 23;55(3):645-59. doi: 10.1021/ci500672v. Epub 2015 Feb 17.

13.

Identification of a novel drug lead that inhibits HCV infection and cell-to-cell transmission by targeting the HCV E2 glycoprotein.

Al Olaby RR, Cocquerel L, Zemla A, Saas L, Dubuisson J, Vielmetter J, Marcotrigiano J, Khan AG, Vences Catalan F, Perryman AL, Freundlich JS, Forli S, Levy S, Balhorn R, Azzazy HM.

PLoS One. 2014 Oct 30;9(10):e111333. doi: 10.1371/journal.pone.0111333. eCollection 2014.

14.

Biological evaluation of potent triclosan-derived inhibitors of the enoyl-acyl carrier protein reductase InhA in drug-sensitive and drug-resistant strains of Mycobacterium tuberculosis.

Stec J, Vilchèze C, Lun S, Perryman AL, Wang X, Freundlich JS, Bishai W, Jacobs WR Jr, Kozikowski AP.

ChemMedChem. 2014 Nov;9(11):2528-37. doi: 10.1002/cmdc.201402255. Epub 2014 Aug 27.

15.

Blind prediction of HIV integrase binding from the SAMPL4 challenge.

Mobley DL, Liu S, Lim NM, Wymer KL, Perryman AL, Forli S, Deng N, Su J, Branson K, Olson AJ.

J Comput Aided Mol Des. 2014 Apr;28(4):327-45. doi: 10.1007/s10822-014-9723-5. Epub 2014 Mar 5. Review.

16.

Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge.

Gallicchio E, Deng N, He P, Wickstrom L, Perryman AL, Santiago DN, Forli S, Olson AJ, Levy RM.

J Comput Aided Mol Des. 2014 Apr;28(4):475-90. doi: 10.1007/s10822-014-9711-9. Epub 2014 Feb 7.

17.
18.

Small molecule regulation of protein conformation by binding in the Flap of HIV protease.

Tiefenbrunn T, Forli S, Baksh MM, Chang MW, Happer M, Lin YC, Perryman AL, Rhee JK, Torbett BE, Olson AJ, Elder JH, Finn MG, Stout CD.

ACS Chem Biol. 2013;8(6):1223-31. doi: 10.1021/cb300611p. Epub 2013 Mar 29.

19.

Robust scoring functions for protein-ligand interactions with quantum chemical charge models.

Wang JC, Lin JH, Chen CM, Perryman AL, Olson AJ.

J Chem Inf Model. 2011 Oct 24;51(10):2528-37. doi: 10.1021/ci200220v. Epub 2011 Oct 7.

20.

Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease.

Lin YC, Perryman AL, Olson AJ, Torbett BE, Elder JH, Stout CD.

Acta Crystallogr D Biol Crystallogr. 2011 Jun;67(Pt 6):540-8. doi: 10.1107/S0907444911011681. Epub 2011 May 12.

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