-
1
-
-
84895500038
-
Computational models for neglected diseases: Gaps and opportunities
-
[in Press]
-
E.L. Ponder, J.S. Freundlich, M. Sarker, and S. Ekins Computational models for neglected diseases: gaps and opportunities Pharm Res 2013 [in Press]
-
(2013)
Pharm Res
-
-
Ponder, E.L.1
Freundlich, J.S.2
Sarker, M.3
Ekins, S.4
-
2
-
-
84883789341
-
Rising to the challenge: New therapies for tuberculosis
-
E.B. Wong, K.A. Cohen, and W.R. Bishai Rising to the challenge: new therapies for tuberculosis Trends Microbiol 21 2013 493 501
-
(2013)
Trends Microbiol
, vol.21
, pp. 493-501
-
-
Wong, E.B.1
Cohen, K.A.2
Bishai, W.R.3
-
3
-
-
77953475812
-
Global tuberculosis drug development pipeline: The need and the reality
-
Z. Ma, C. Lienhardt, H. McIlleron, A.J. Nunn, and X. Wang Global tuberculosis drug development pipeline: the need and the reality Lancet 375 2010 2100 2109
-
(2010)
Lancet
, vol.375
, pp. 2100-2109
-
-
Ma, Z.1
Lienhardt, C.2
McIlleron, H.3
Nunn, A.J.4
Wang, X.5
-
4
-
-
84863584732
-
New drugs for the treatment of tuberculosis: Hope and reality
-
J.H. Grosset, T.G. Singer, and W.R. Bishai New drugs for the treatment of tuberculosis: hope and reality Int J Tuberc Lung Dis 16 2012 1005 1014
-
(2012)
Int J Tuberc Lung Dis
, vol.16
, pp. 1005-1014
-
-
Grosset, J.H.1
Singer, T.G.2
Bishai, W.R.3
-
5
-
-
84888635544
-
Combining computational methods for hit to lead optimization in Mycobacterium tuberculosis drug discovery
-
[in Press]
-
S. Ekins, J.S. Freundlich, J.V. Hobrath, E.L. White, and R.C. Reynolds Combining computational methods for hit to lead optimization in Mycobacterium tuberculosis drug discovery Pharm Res 2013 [in Press]
-
(2013)
Pharm Res
-
-
Ekins, S.1
Freundlich, J.S.2
Hobrath, J.V.3
White, E.L.4
Reynolds, R.C.5
-
6
-
-
84856496490
-
High throughput screening of a library based on kinase inhibitor scaffolds against Mycobacterium tuberculosis H37Rv
-
R.C. Reynolds, S. Ananthan, E. Faaleolea, J.V. Hobrath, C.D. Kwong, C. Maddox, L. Rasmussen, M.I. Sosa, E. Thammasuvimol, E.L. White, W. Zhang, and J.A. Secrist III High throughput screening of a library based on kinase inhibitor scaffolds against Mycobacterium tuberculosis H37Rv Tuberculosis (Edinburgh, Scotland) 92 2012 72 83
-
(2012)
Tuberculosis (Edinburgh, Scotland)
, vol.92
, pp. 72-83
-
-
Reynolds, R.C.1
Ananthan, S.2
Faaleolea, E.3
Hobrath, J.V.4
Kwong, C.D.5
-
7
-
-
70449108128
-
Antituberculosis activity of the molecular libraries screening center network library
-
J.A. Maddry, S. Ananthan, R.C. Goldman, J.V. Hobrath, C.D. Kwong, C. Maddox, L. Rasmussen, R.C. Reynolds, J.A. Secrist 3rd, M.I. Sosa, E.L. White, and W. Zhang Antituberculosis activity of the molecular libraries screening center network library Tuberculosis (Edinburgh, Scotland) 89 2009 354 363
-
(2009)
Tuberculosis (Edinburgh, Scotland)
, vol.89
, pp. 354-363
-
-
Maddry, J.A.1
Ananthan, S.2
Goldman, R.C.3
Hobrath, J.V.4
Kwong, C.D.5
Maddox, C.6
Rasmussen, L.7
Reynolds, R.C.8
Secrist III, J.A.9
Sosa, M.I.10
White, E.L.11
Zhang, W.12
-
8
-
-
70350765485
-
High-throughput screening for inhibitors of Mycobacterium tuberculosis H37Rv
-
S. Ananthan, E.R. Faaleolea, R.C. Goldman, J.V. Hobrath, C.D. Kwong, B.E. Laughon, J.A. Maddry, A. Mehta, L. Rasmussen, R.C. Reynolds, J.A. Secrist 3rd, N. Shindo, D.N. Showe, M.I. Sosa, W.J. Suling, and E.L. White High-throughput screening for inhibitors of Mycobacterium tuberculosis H37Rv Tuberculosis (Edinburgh, Scotland) 89 2009 334 353
-
(2009)
Tuberculosis (Edinburgh, Scotland)
, vol.89
, pp. 334-353
-
-
Ananthan, S.1
Faaleolea, E.R.2
Goldman, R.C.3
Hobrath, J.V.4
Kwong, C.D.5
Laughon, B.E.6
Maddry, J.A.7
Mehta, A.8
Rasmussen, L.9
-
9
-
-
84873811860
-
Fueling open-source drug discovery: 177 small-molecule leads against tuberculosis
-
L. Ballell, R.H. Bates, R.J. Young, D. Alvarez-Gomez, E. Alvarez-Ruiz, V. Barroso, D. Blanco, B. Crespo, J. Escribano, R. Gonzalez, S. Lozano, S. Huss, A. Santos-Villarejo, J.J. Martin-Plaza, A. Mendoza, M.J. Rebollo-Lopez, M. Remuinan-Blanco, J.L. Lavandera, E. Perez-Herran, F.J. Gamo-Benito, J.F. Garcia-Bustos, D. Barros, J.P. Castro, and N. Cammack Fueling open-source drug discovery: 177 small-molecule leads against tuberculosis ChemMedChem 8 2013 313 321
-
(2013)
ChemMedChem
, vol.8
, pp. 313-321
-
-
Ballell, L.1
Bates, R.H.2
Young, R.J.3
Alvarez-Gomez, D.4
Alvarez-Ruiz, E.5
Barroso, V.6
Blanco, D.7
Crespo, B.8
Escribano, J.9
Gonzalez, R.10
Lozano, S.11
Huss, S.12
Santos-Villarejo, A.13
Martin-Plaza, J.J.14
Mendoza, A.15
Rebollo-Lopez, M.J.16
Remuinan-Blanco, M.17
Lavandera, J.L.18
Perez-Herran, E.19
Gamo-Benito, F.J.20
Garcia-Bustos, J.F.21
Barros, D.22
Castro, J.P.23
Cammack, N.24
more..
-
10
-
-
84864128973
-
A High-throughput screen to identify inhibitors of ATP homeostasis in non-replicating Mycobacterium tuberculosis
-
P.A. Mak, S.P. Rao, M. Ping Tan, X. Lin, J. Chyba, J. Tay, S.H. Ng, B.H. Tan, J. Cherian, J. Duraiswamy, P. Bifani, V. Lim, B.H. Lee, N. Ling Ma, D. Beer, P. Thayalan, K. Kuhen, A. Chatterjee, F. Supek, R. Glynne, J. Zheng, H.I. Boshoff, C.E. Barry 3rd, T. Dick, K. Pethe, and L.R. Camacho A High-throughput screen to identify inhibitors of ATP homeostasis in non-replicating Mycobacterium tuberculosis ACS Chem Biol 7 2012 1190 1197
-
(2012)
ACS Chem Biol
, vol.7
, pp. 1190-1197
-
-
Mak, P.A.1
Rao, S.P.2
Ping Tan, M.3
Lin, X.4
Chyba, J.5
Tay, J.6
Ng, S.H.7
Tan, B.H.8
Cherian, J.9
Duraiswamy, J.10
Bifani, P.11
Lim, V.12
Lee, B.H.13
Ling Ma, N.14
Beer, D.15
Thayalan, P.16
Kuhen, K.17
Chatterjee, A.18
Supek, F.19
Glynne, R.20
Zheng, J.21
Boshoff, H.I.22
Barry III, C.E.23
Dick, T.24
Pethe, K.25
Camacho, L.R.26
more..
-
11
-
-
77952704258
-
Thousands of chemical starting points for antimalarial lead identification
-
F.-J. Gamo, L.M. Sanz, J. Vidal, C. de Cozar, E. Alvarez, J.-L. Lavandera, D.E. Vanderwall, D.V.S. Green, V. Kumar, S. Hasan, J.R. Brown, C.E. Peishoff, L.R. Cardon, and J.F. Garcia-Bustos Thousands of chemical starting points for antimalarial lead identification Nature 465 2010 305 310
-
(2010)
Nature
, vol.465
, pp. 305-310
-
-
Gamo, F.-J.1
Sanz, L.M.2
Vidal, J.3
De Cozar, C.4
Alvarez, E.5
Lavandera, J.-L.6
Vanderwall, D.E.7
Green, D.V.S.8
Kumar, V.9
Hasan, S.10
Brown, J.R.11
Peishoff, C.E.12
Cardon, L.R.13
Garcia-Bustos, J.F.14
-
12
-
-
84893961807
-
Open source drug discovery - A limited tutorial
-
M.N. Robertson, P.M. Ylioja, A.E. Williamson, M. Woelfle, M. Robins, K.A. Badiola, P. Willis, P. Olliaro, T.N. Wells, and M.H. Todd Open source drug discovery - a limited tutorial Parasitology 2013 1 10
-
(2013)
Parasitology
, pp. 1-10
-
-
Robertson, M.N.1
Ylioja, P.M.2
Williamson, A.E.3
Woelfle, M.4
Robins, M.5
Badiola, K.A.6
Willis, P.7
Olliaro, P.8
Wells, T.N.9
Todd, M.H.10
-
13
-
-
79959867973
-
A web server for predicting inhibitors against bacterial target GlmU protein
-
D. Singla, M. Anurag, D. Dash, and G.P. Raghava A web server for predicting inhibitors against bacterial target GlmU protein BMC Pharmacol 11 2011 5
-
(2011)
BMC Pharmacol
, vol.11
, pp. 5
-
-
Singla, D.1
Anurag, M.2
Dash, D.3
Raghava, G.P.4
-
14
-
-
70350749442
-
TBrowse: An integrative genomics map of Mycobacterium tuberculosis
-
A. Bhardwaj, D. Bhartiya, N. Kumar, and V. Scaria TBrowse: an integrative genomics map of Mycobacterium tuberculosis Tuberculosis (Edinburgh, Scotland) 89 2009 386 387
-
(2009)
Tuberculosis (Edinburgh, Scotland)
, vol.89
, pp. 386-387
-
-
Bhardwaj, A.1
Bhartiya, D.2
Kumar, N.3
Scaria, V.4
-
15
-
-
84876717968
-
Enhanced ranking of PknB inhibitors using data fusion methods
-
A. Seal, P. Yogeeswari, D. Sriram, O. Consortium, and D.J. Wild Enhanced ranking of PknB inhibitors using data fusion methods J Cheminform 5 2013 2
-
(2013)
J Cheminform
, vol.5
, pp. 2
-
-
Seal, A.1
Yogeeswari, P.2
Sriram, D.3
Consortium, O.4
Wild, D.J.5
-
16
-
-
84866888235
-
Open source drug discovery in practice: A case study
-
C. Ardal, and J.A. Rottingen Open source drug discovery in practice: a case study PLoS Negl Trop Dis 6 2012 e1827
-
(2012)
PLoS Negl Trop Dis
, vol.6
, pp. 1827
-
-
Ardal, C.1
Rottingen, J.A.2
-
17
-
-
84875142445
-
South Africa warns of emergence of "totally" drug-resistant tuberculosis
-
A. Slomski South Africa warns of emergence of "totally" drug-resistant tuberculosis JAMA 309 2013 1097 1098
-
(2013)
JAMA
, vol.309
, pp. 1097-1098
-
-
Slomski, A.1
-
18
-
-
84884226265
-
The collaborative drug discovery (CDD) database
-
S. Ekins, and B.A. Bunin The collaborative drug discovery (CDD) database Methods Mol Biol (Clifton, NJ) 993 2013 139 154
-
(2013)
Methods Mol Biol (Clifton, NJ)
, vol.993
, pp. 139-154
-
-
Ekins, S.1
Bunin, B.A.2
-
19
-
-
84884218994
-
Computational models for tuberculosis drug discovery
-
S. Ekins, and J.S. Freundlich Computational models for tuberculosis drug discovery Methods Mol Biol (Clifton, NJ) 993 2013 245 262
-
(2013)
Methods Mol Biol (Clifton, NJ)
, vol.993
, pp. 245-262
-
-
Ekins, S.1
Freundlich, J.S.2
-
20
-
-
79952466815
-
Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery
-
S. Ekins, J.S. Freundlich, I. Choi, M. Sarker, and C. Talcott Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery Trends Microbiology 19 2011 65 74
-
(2011)
Trends Microbiology
, vol.19
, pp. 65-74
-
-
Ekins, S.1
Freundlich, J.S.2
Choi, I.3
Sarker, M.4
Talcott, C.5
-
21
-
-
80255123365
-
Mobile apps for chemistry in the world of drug discovery
-
A.J. Williams, S. Ekins, A.M. Clark, J.J. Jack, and R.L. Apodaca Mobile apps for chemistry in the world of drug discovery Drug Discov Today 16 2011 928 939
-
(2011)
Drug Discov Today
, vol.16
, pp. 928-939
-
-
Williams, A.J.1
Ekins, S.2
Clark, A.M.3
Jack, J.J.4
Apodaca, R.L.5
-
22
-
-
84865262801
-
Open drug discovery teams: A chemistry mobile app for collaboration
-
S. Ekins, A.M. Clark, and A.J. Williams Open drug discovery teams: a chemistry mobile app for collaboration Mol Inform 31 2012 585 597
-
(2012)
Mol Inform
, vol.31
, pp. 585-597
-
-
Ekins, S.1
Clark, A.M.2
Williams, A.J.3
-
23
-
-
84877347898
-
TB mobile: A mobile app for anti-tuberculosis molecules with known targets
-
S. Ekins, A.M. Clark, and M. Sarker TB mobile: a mobile app for anti-tuberculosis molecules with known targets J Cheminform 5 2013 13
-
(2013)
J Cheminform
, vol.5
, pp. 13
-
-
Ekins, S.1
Clark, A.M.2
Sarker, M.3
-
24
-
-
84886953083
-
Multifaceted roles of ultra-rare and rare disease patients/parents in drug discovery
-
J. Wood, L. Sames, A. Moore, and S. Ekins Multifaceted roles of ultra-rare and rare disease patients/parents in drug discovery Drug Discov Today 18 21-22 November 2013 1043 1051
-
(2013)
Drug Discov Today
, vol.18
, Issue.2122
, pp. 1043-1051
-
-
Wood, J.1
Sames, L.2
Moore, A.3
Ekins, S.4
-
25
-
-
84862173050
-
Towards the development of a generalizable pre-clinical research pathway for orphan disease therapy
-
C.L. Beaulieu, S. Ekins, M. Samuels, K.M. Boycott, and A. MacKenzie Towards the development of a generalizable pre-clinical research pathway for orphan disease therapy Orphanet J Rare Dis 7 2012 39
-
(2012)
Orphanet J Rare Dis
, vol.7
, pp. 39
-
-
Beaulieu, C.L.1
Ekins, S.2
Samuels, M.3
Boycott, K.M.4
Mackenzie, A.5
-
26
-
-
76749147365
-
Free online resources enabling crowdsourced drug discovery
-
[Winter]
-
A.J. Williams, V. Tkachenko, C. Lipinski, A. Tropsha, and S. Ekins Free online resources enabling crowdsourced drug discovery Drug Discov World 10 2009 33 38 [Winter]
-
(2009)
Drug Discov World
, vol.10
, pp. 33-38
-
-
Williams, A.J.1
Tkachenko, V.2
Lipinski, C.3
Tropsha, A.4
Ekins, S.5
-
27
-
-
77950531688
-
Precompetitive preclinical ADME/Tox data: Set it free on the web to facilitate computational model building to assist drug development
-
S. Ekins, and A.J. Williams Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building to assist drug development Lab a Chip 10 2010 13 22
-
(2010)
Lab A Chip
, vol.10
, pp. 13-22
-
-
Ekins, S.1
Williams, A.J.2
-
28
-
-
77949269509
-
Reaching out to collaborators: Crowdsourcing for pharmaceutical research
-
S. Ekins, and A.J. Williams Reaching out to collaborators: crowdsourcing for pharmaceutical research Pharm Res 27 2010 393 395
-
(2010)
Pharm Res
, vol.27
, pp. 393-395
-
-
Ekins, S.1
Williams, A.J.2
-
29
-
-
84866901540
-
Why open drug discovery needs four simple rules for licensing data and models
-
A.J. Williams, J. Wilbanks, and S. Ekins Why open drug discovery needs four simple rules for licensing data and models PLoS Comput Biol 8 2012 e1002706
-
(2012)
PLoS Comput Biol
, vol.8
, pp. 1002706
-
-
Williams, A.J.1
Wilbanks, J.2
Ekins, S.3
-
30
-
-
84874692543
-
Four disruptive strategies for removing drug discovery bottlenecks
-
S. Ekins, C.L. Waller, M.P. Bradley, A.M. Clark, and A.J. Williams Four disruptive strategies for removing drug discovery bottlenecks Drug Disc Today 18 2013 265 271
-
(2013)
Drug Disc Today
, vol.18
, pp. 265-271
-
-
Ekins, S.1
Waller, C.L.2
Bradley, M.P.3
Clark, A.M.4
Williams, A.J.5
-
31
-
-
71749108117
-
Competitive collaboration in the pharmaceutical and biotechnology industry
-
A. Bingham, and S. Ekins Competitive collaboration in the pharmaceutical and biotechnology industry Drug Disc Today 14 2009 1079 1081
-
(2009)
Drug Disc Today
, vol.14
, pp. 1079-1081
-
-
Bingham, A.1
Ekins, S.2
|