Year |
Citation |
Score |
2022 |
Mottin M, de Paula Sousa BK, de Moraes Roso Mesquita NC, de Oliveira KIZ, Noske GD, Sartori GR, de Oliveira Albuquerque A, Urbina F, Puhl AC, Moreira-Filho JT, Souza GE, Guido RVC, Muratov E, Neves BJ, Martins da Silva JH, ... ... Perryman AL, et al. Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika. Journal of Chemical Information and Modeling. PMID 36239304 DOI: 10.1021/acs.jcim.2c00596 |
0.321 |
|
2020 |
Pereira JC, Daher SS, Zorn KM, Sherwood M, Russo R, Perryman AL, Wang X, Freundlich MJ, Ekins S, Freundlich JS. Machine Learning Platform to Discover Novel Growth Inhibitors of Neisseria gonorrhoeae. Pharmaceutical Research. 37: 141. PMID 32661900 DOI: 10.1007/S11095-020-02876-Y |
0.303 |
|
2019 |
Silva S, Shimizu JF, Oliveira DM, Assis LR, Bittar C, Mottin M, Sousa BKP, Mesquita NCMR, Regasini LO, Rahal P, Oliva G, Perryman AL, Ekins S, Andrade CH, Goulart LR, et al. A diarylamine derived from anthranilic acid inhibits ZIKV replication. Scientific Reports. 9: 17703. PMID 31776405 DOI: 10.1038/S41598-019-54169-Z |
0.342 |
|
2019 |
Wang X, Perryman A, Li SG, Paget S, Stratton T, Lemenze A, Olson AJ, Ekins S, Kumar P, Freundlich JS. Intrabacterial Metabolism Obscures the Successful Prediction of an InhA Inhibitor of Mycobacterium tuberculosis. Acs Infectious Diseases. PMID 31625383 DOI: 10.1021/Acsinfecdis.9B00295 |
0.372 |
|
2018 |
Kumar P, Capodagli GC, Awasthi D, Shrestha R, Maharaja K, Sukheja P, Li SG, Inoyama D, Zimmerman M, Ho Liang HP, Sarathy J, Mina M, Rasic G, Russo R, Perryman AL, et al. Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA. Mbio. 9. PMID 30563908 DOI: 10.1128/Mbio.02101-17 |
0.42 |
|
2018 |
Perryman AL, Patel JS, Russo R, Singleton E, Connell N, Ekins S, Freundlich JS. Naïve Bayesian Models for Vero Cell Cytotoxicity. Pharmaceutical Research. 35: 170. PMID 29959603 DOI: 10.1007/S11095-018-2439-9 |
0.309 |
|
2018 |
Mottin M, Borba JVVB, Braga RC, Torres PHM, Martini MC, Proenca-Modena JL, Judice CC, Costa FTM, Ekins S, Perryman AL, Andrade CH. The A-Z of Zika drug discovery. Drug Discovery Today. PMID 29935345 DOI: 10.1016/J.Drudis.2018.06.014 |
0.376 |
|
2018 |
Lane T, Russo DP, Zorn KM, Clark AM, Korotcov A, Tkachenko V, Reynolds RC, Perryman AL, Freundlich JS, Ekins S. Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery. Molecular Pharmaceutics. PMID 29672063 DOI: 10.1021/Acs.Molpharmaceut.8B00083 |
0.353 |
|
2018 |
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. Novel Pyrimidines as Antitubercular Agents. Antimicrobial Agents and Chemotherapy. PMID 29311070 DOI: 10.1128/Aac.02063-17 |
0.369 |
|
2017 |
Stratton TP, Perryman AL, Vilchèze C, Russo R, Li SG, Patel JS, Singleton E, Ekins S, Connell N, Jacobs WR, Freundlich JS. Addressing the Metabolic Stability of Antituberculars through Machine Learning. Acs Medicinal Chemistry Letters. 8: 1099-1104. PMID 29057058 DOI: 10.1021/Acsmedchemlett.7B00299 |
0.33 |
|
2017 |
Mottin M, Braga RC, da Silva RA, Martins da Silva JH, Perryman AL, Ekins S, Andrade CH. Molecular dynamics simulations of Zika virus NS3 helicase: Insights into RNA binding site activity. Biochemical and Biophysical Research Communications. PMID 28341122 DOI: 10.1016/J.Bbrc.2017.03.070 |
0.372 |
|
2017 |
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. A Novel Small-Molecule Inhibitor of the Mycobacterium tuberculosis Demethylmenaquinone Methyltransferase MenG Is Bactericidal to Both Growing and Nutritionally Deprived Persister Cells. Mbio. 8. PMID 28196957 DOI: 10.1128/Mbio.02022-16 |
0.37 |
|
2016 |
Ekins S, Perryman AL, Horta Andrade C. OpenZika: An IBM World Community Grid Project to Accelerate Zika Virus Drug Discovery. Plos Neglected Tropical Diseases. 10: e0005023. PMID 27764115 DOI: 10.1371/Journal.Pntd.0005023 |
0.36 |
|
2016 |
Ekins S, Perryman AL, Clark AM, Reynolds RC, Freundlich JS. Machine Learning Model Analysis and Data Visualization with Small Molecules Tested in a Mouse Model of Mycobacterium tuberculosis Infection (2014-2015). Journal of Chemical Information and Modeling. PMID 27335215 DOI: 10.1021/Acs.Jcim.6B00004 |
0.357 |
|
2015 |
Perryman AL, Yu W, Wang X, Ekins S, Forli S, Li SG, Freundlich JS, Tonge PJ, Olson AJ. A virtual screen discovers novel, fragment-sized inhibitors of Mycobacterium tuberculosis InhA. Journal of Chemical Information and Modeling. 55: 645-59. PMID 25636146 DOI: 10.1021/Ci500672V |
0.403 |
|
2015 |
Deng N, Forli S, He P, Perryman A, Wickstrom L, Vijayan RS, Tiefenbrunn T, Stout D, Gallicchio E, Olson AJ, Levy RM. Distinguishing binders from false positives by free energy calculations: fragment screening against the flap site of HIV protease. The Journal of Physical Chemistry. B. 119: 976-88. PMID 25189630 DOI: 10.1021/Jp506376Z |
0.427 |
|
2014 |
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. Identification of a novel drug lead that inhibits HCV infection and cell-to-cell transmission by targeting the HCV E2 glycoprotein. Plos One. 9: e111333. PMID 25357246 DOI: 10.1371/Journal.Pone.0111333 |
0.31 |
|
2014 |
Stec J, Vilchèze C, Lun S, Perryman AL, Wang X, Freundlich JS, Bishai W, Jacobs WR, Kozikowski AP. 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. Chemmedchem. 9: 2528-37. PMID 25165007 DOI: 10.1002/Cmdc.201402255 |
0.379 |
|
2014 |
Mobley DL, Liu S, Lim NM, Wymer KL, Perryman AL, Forli S, Deng N, Su J, Branson K, Olson AJ. Blind prediction of HIV integrase binding from the SAMPL4 challenge. Journal of Computer-Aided Molecular Design. 28: 327-45. PMID 24595873 DOI: 10.1007/S10822-014-9723-5 |
0.415 |
|
2014 |
Gallicchio E, Deng N, He P, Wickstrom L, Perryman AL, Santiago DN, Forli S, Olson AJ, Levy RM. Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge. Journal of Computer-Aided Molecular Design. 28: 475-90. PMID 24504704 DOI: 10.1007/S10822-014-9711-9 |
0.391 |
|
2014 |
Perryman AL, Santiago DN, Forli S, Santos-Martins D, Olson AJ. Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge. Journal of Computer-Aided Molecular Design. 28: 429-41. PMID 24493410 DOI: 10.1007/S10822-014-9709-3 |
0.495 |
|
2013 |
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. Small molecule regulation of protein conformation by binding in the Flap of HIV protease. Acs Chemical Biology. 8: 1223-31. PMID 23540839 DOI: 10.1021/Cb300611P |
0.369 |
|
2011 |
Lin YC, Perryman AL, Olson AJ, Torbett BE, Elder JH, Stout CD. Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease. Acta Crystallographica. Section D, Biological Crystallography. 67: 540-8. PMID 21636894 DOI: 10.1107/S0907444911011681 |
0.404 |
|
2010 |
Cosconati S, Forli S, Perryman AL, Harris R, Goodsell DS, Olson AJ. Virtual Screening with AutoDock: Theory and Practice. Expert Opinion On Drug Discovery. 5: 597-607. PMID 21532931 DOI: 10.1517/17460441.2010.484460 |
0.345 |
|
2010 |
Perryman AL, Zhang Q, Soutter HH, Rosenfeld R, McRee DE, Olson AJ, Elder JE, Stout CD. Fragment-based screen against HIV protease. Chemical Biology & Drug Design. 75: 257-68. PMID 20659109 DOI: 10.1111/J.1747-0285.2009.00943.X |
0.423 |
|
2010 |
Perryman AL, Forli S, Morris GM, Burt C, Cheng Y, Palmer MJ, Whitby K, McCammon JA, Phillips C, Olson AJ. A dynamic model of HIV integrase inhibition and drug resistance. Journal of Molecular Biology. 397: 600-15. PMID 20096702 DOI: 10.1016/J.Jmb.2010.01.033 |
0.619 |
|
2006 |
Perryman AL, Lin JH, Andrew McCammon J. Optimization and computational evaluation of a series of potential active site inhibitors of the V82F/I84V drug-resistant mutant of HIV-1 protease: an application of the relaxed complex method of structure-based drug design. Chemical Biology & Drug Design. 67: 336-45. PMID 16784458 DOI: 10.1111/J.1747-0285.2006.00382.X |
0.503 |
|
2006 |
Perryman AL, Lin JH, McCammon JA. Restrained molecular dynamics simulations of HIV-1 protease: the first step in validating a new target for drug design. Biopolymers. 82: 272-84. PMID 16508951 DOI: 10.1002/Bip.20497 |
0.518 |
|
2004 |
Perryman AL, Lin JH, McCammon JA. HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs. Protein Science : a Publication of the Protein Society. 13: 1108-23. PMID 15044738 DOI: 10.1110/Ps.03468904 |
0.55 |
|
2003 |
Lin JH, Perryman AL, Schames JR, McCammon JA. The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme. Biopolymers. 68: 47-62. PMID 12579579 DOI: 10.1002/Bip.10218 |
0.481 |
|
2002 |
Perryman AL, McCammon JA. AutoDocking dinucleotides to the HIV-1 integrase core domain: exploring possible binding sites for viral and genomic DNA. Journal of Medicinal Chemistry. 45: 5624-7. PMID 12477345 DOI: 10.1021/Jm025554M |
0.426 |
|
2002 |
Lin JH, Perryman AL, Schames JR, McCammon JA. Computational drug design accommodating receptor flexibility: the relaxed complex scheme. Journal of the American Chemical Society. 124: 5632-3. PMID 12010024 DOI: 10.1021/Ja0260162 |
0.498 |
|
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