-
1
-
-
33751547539
-
How many drug targets are there?
-
Overington, J. P.; Al-Lazikani, B.; Hopkins, A. L. How Many Drug Targets Are There? Nat. Rev. Drug Discov. 2006, 5, 993-996
-
(2006)
Nat. Rev. Drug Discov.
, vol.5
, pp. 993-996
-
-
Overington, J.P.1
Al-Lazikani, B.2
Hopkins, A.L.3
-
2
-
-
23044496736
-
Protein-protein interactions in human disease
-
Ryan, D. P.; Matthews, J. M. Protein-Protein Interactions in Human Disease. Curr. Opin. Struct. Biol. 2005, 15, 441-446
-
(2005)
Curr. Opin. Struct. Biol.
, vol.15
, pp. 441-446
-
-
Ryan, D.P.1
Matthews, J.M.2
-
3
-
-
77649233664
-
Rationalizing the chemical space of protein-protein interaction inhibitors
-
Sperandio, O.; Reynes, C. H.; Camproux, A. C.; et al. Rationalizing the Chemical Space of Protein-Protein Interaction Inhibitors. Drug Discov. Today 2010, 15, 220-229
-
(2010)
Drug Discov. Today
, vol.15
, pp. 220-229
-
-
Sperandio, O.1
Reynes, C.H.2
Camproux, A.C.3
-
4
-
-
33646567148
-
Between a rock and a hard place?
-
Whitty, A.; Kumaravel, G. Between a Rock and a Hard Place? Nat. Chem. Biol. 2006, 2, 112-118
-
(2006)
Nat. Chem. Biol.
, vol.2
, pp. 112-118
-
-
Whitty, A.1
Kumaravel, G.2
-
5
-
-
0034177264
-
Antagonists of protein-protein interactions
-
Cochran, A. G. Antagonists of Protein-Protein Interactions. Chem. Biol. 2000, 7, R85-R94
-
(2000)
Chem. Biol.
, vol.7
-
-
Cochran, A.G.1
-
6
-
-
76149109071
-
Targeting protein-protein interactions for therapeutic intervention: A challenge for the future
-
Zinzalla, G.; Thurston, D. E. Targeting Protein-Protein Interactions for therapeutic Intervention: A Challenge for the Future. Fut. Med. Chem. 2009, 1, 65-93
-
(2009)
Fut. Med. Chem.
, vol.1
, pp. 65-93
-
-
Zinzalla, G.1
Thurston, D.E.2
-
7
-
-
37249004920
-
Reaching for high-hanging fruit in drug discovery at protein-protein interfaces
-
Wells, J. A.; McClendon, C. L. Reaching for High-Hanging Fruit in Drug Discovery at Protein-Protein Interfaces. Nature 2007, 450, 1001-1009
-
(2007)
Nature
, vol.450
, pp. 1001-1009
-
-
Wells, J.A.1
McClendon, C.L.2
-
8
-
-
84860390443
-
Molecular interaction studies using microscale thermophoresis
-
Jerabek-Willemsen, M.; Wienken, C. J.; Braun, D.; et al. Molecular interaction Studies Using Microscale Thermophoresis. Assay Drug Dev. Technol. 2011, 9, 342-353
-
(2011)
Assay Drug Dev. Technol.
, vol.9
, pp. 342-353
-
-
Jerabek-Willemsen, M.1
Wienken, C.J.2
Braun, D.3
-
9
-
-
70350759905
-
Analysis of biomolecules using surface plasmons
-
Willander, M.; Al-Hilli, S. Analysis of Biomolecules Using Surface Plasmons. Methods Mol. Biol. 2009, 544, 201-229
-
(2009)
Methods Mol. Biol.
, vol.544
, pp. 201-229
-
-
Willander, M.1
Al-Hilli, S.2
-
10
-
-
84855269204
-
Applications of isothermal titration calorimetry in pure and applied research - Survey of the literature from 2010
-
Ghai, R.; Falconer, R. J.; Collins, B. M. Applications of Isothermal Titration Calorimetry in Pure and Applied Research - Survey of the Literature from 2010. J. Mol. Recogn. 2012, 25, 32-52
-
(2012)
J. Mol. Recogn.
, vol.25
, pp. 32-52
-
-
Ghai, R.1
Falconer, R.J.2
Collins, B.M.3
-
11
-
-
79952131874
-
Impact of high-throughput screening in biomedical research
-
Macarron, R.; Banks, M. N.; Bojanic, D.; et al. Impact of High-Throughput Screening in Biomedical Research. Nat. Rev. Drug Discov. 2011, 10, 188-195
-
(2011)
Nat. Rev. Drug Discov.
, vol.10
, pp. 188-195
-
-
Macarron, R.1
Banks, M.N.2
Bojanic, D.3
-
12
-
-
47749106894
-
Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors
-
Coan, K. E.; Shoichet, B. K. Stoichiometry and Physical Chemistry of Promiscuous Aggregate-Based Inhibitors. J. Am. Chem. Soc. 2008, 130, 9606-9612
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 9606-9612
-
-
Coan, K.E.1
Shoichet, B.K.2
-
13
-
-
77950571108
-
New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays
-
Baell, J. B.; Holloway, G. A. New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays. J. Med. Chem. 2010, 53, 2719-2740
-
(2010)
J. Med. Chem.
, vol.53
, pp. 2719-2740
-
-
Baell, J.B.1
Holloway, G.A.2
-
14
-
-
0035289779
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; et al. Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings. Adv. Drug Deliv. Rev. 2001, 46, 3-26
-
(2001)
Adv. Drug Deliv. Rev.
, vol.46
, pp. 3-26
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
-
15
-
-
84883238632
-
Development of dimethyl sulfoxide solubility models using 163 000 molecules: Using a domain applicability metric to select more reliable predictions
-
Tetko, I. V.; Novotarskyi, S.; Sushko, I.; et al. Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions. J. Chem. Inf. Model. 2013, 53, 1990-2000
-
(2013)
J. Chem. Inf. Model.
, vol.53
, pp. 1990-2000
-
-
Tetko, I.V.1
Novotarskyi, S.2
Sushko, I.3
-
16
-
-
0035526162
-
Estimation of aqueous solubility of chemical compounds using e-state indices
-
Tetko, I. V.; Tanchuk, V. Y.; Kasheva, T. N.; et al. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices. J. Chem. Inf. Comput. Sci. 2001, 41, 1488-1493
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1488-1493
-
-
Tetko, I.V.1
Tanchuk, V.Y.2
Kasheva, T.N.3
-
17
-
-
77951080733
-
Applicability domain for in silico models to achieve accuracy of experimental measurements
-
Sushko, I.; Novotarskyi, S.; Korner, R.; et al. Applicability Domain for In Silico Models to Achieve Accuracy of Experimental Measurements. J. Chemometrics 2010, 24, 202-208
-
(2010)
J. Chemometrics
, vol.24
, pp. 202-208
-
-
Sushko, I.1
Novotarskyi, S.2
Korner, R.3
-
18
-
-
84865485155
-
ToxAlerts: A web server of structural alerts for toxic chemicals and compounds with potential adverse reactions
-
Sushko, I.; Salmina, E.; Potemkin, V. A.; et al. ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions. J. Chem. Inf. Model. 2012, 52, 2310-2316
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 2310-2316
-
-
Sushko, I.1
Salmina, E.2
Potemkin, V.A.3
-
20
-
-
33745381593
-
An empirical process for the design of high-throughput screening deck filters
-
Pearce, B. C.; Sofia, M. J.; Good, A. C.; et al. An Empirical Process for the Design of High-Throughput Screening Deck Filters. J. Chem. Inf. Model. 2006, 46, 1060-1068
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 1060-1068
-
-
Pearce, B.C.1
Sofia, M.J.2
Good, A.C.3
-
21
-
-
80051551297
-
Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information
-
Sushko, I.; Novotarskyi, S.; Korner, R.; et al. Online Chemical Modeling Environment (OCHEM): Web Platform for Data Storage, Model Development and Publishing of Chemical Information. J. Comput. Aided. Mol. Des. 2011, 25, 533-554
-
(2011)
J. Comput. Aided. Mol. Des.
, vol.25
, pp. 533-554
-
-
Sushko, I.1
Novotarskyi, S.2
Korner, R.3
-
22
-
-
68049098031
-
Interactive exploration of chemical space with scaffold hunter
-
Wetzel, S.; Klein, K.; Renner, S.; et al. Interactive Exploration of Chemical Space with Scaffold Hunter. Nat. Chem. Biol. 2009, 5, 581-583
-
(2009)
Nat. Chem. Biol.
, vol.5
, pp. 581-583
-
-
Wetzel, S.1
Klein, K.2
Renner, S.3
-
23
-
-
54749103171
-
ISIDA- Platform for virtual screening based on fragment and pharmacophoric descriptors
-
Varnek, A.; Fourches, D.; Horvath, D.; et al. ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors. Cur. Comp. Aid. Drug Des. 2008, 4, 191-198
-
(2008)
Cur. Comp. Aid. Drug Des.
, vol.4
, pp. 191-198
-
-
Varnek, A.1
Fourches, D.2
Horvath, D.3
-
24
-
-
84902140387
-
-
Accessed July 8,2013
-
Strip-it. http://silicos-it.com/software/strip-it/1.0.2/strip-it. html. Accessed July 8, 2013
-
-
-
-
26
-
-
77953702461
-
Exemplification of the challenges associated with utilising fluorescence intensity based assays in discovery
-
Gul, S.; Gribbon, P. Exemplification of the Challenges Associated with Utilising Fluorescence Intensity Based Assays in Discovery. Exp. Opin. Drug Discov. 2010, 5, 681-690
-
(2010)
Exp. Opin. Drug Discov.
, vol.5
, pp. 681-690
-
-
Gul, S.1
Gribbon, P.2
-
27
-
-
0025288944
-
Avidin and streptavidin
-
Green, N. M. Avidin and Streptavidin. Methods Enzymol. 1990, 184, 51-67
-
(1990)
Methods Enzymol
, vol.184
, pp. 51-67
-
-
Green, N.M.1
-
28
-
-
84898622245
-
Crystal and electronic structure of heteromolecular complexes of 3,6-bis-(3,5-dimethylpyrazol-1-yl)-1,2, 45-tetrazine with Azoles
-
in press
-
Slepukhin, P. A.; Salmina, E. S.; Potemkin, V. A.; et al. Crystal and Electronic Structure of Heteromolecular Complexes of 3,6-bis-(3,5- dimethylpyrazol-1-yl)-1,2,4,5-tetrazine with Azoles. J. Struct. Chem. 2013, in press
-
(2013)
J Struct Chem
-
-
Slepukhin, P.A.1
Salmina, E.S.2
Potemkin, V.A.3
-
29
-
-
84867442591
-
Intermolecular interactions in heteromolecular crystals of tetrazine derivatives with azoles
-
Salmina, E.S.; Rusinov, G.L.; Slepukhin, P.A.; et al. Intermolecular Interactions in Heteromolecular Crystals of Tetrazine Derivatives with Azoles. J. Struct. Chem. 2011, 52, 1134-1138
-
(2011)
J. Struct. Chem.
, vol.52
, pp. 1134-1138
-
-
Salmina, E.S.1
Rusinov, G.L.2
Slepukhin, P.A.3
-
30
-
-
0036322051
-
The coordination chemistry of 1,2,4,5-tetrazines
-
Kaim, W. The Coordination Chemistry of 1,2,4,5-Tetrazines. Coord. Chem. Rev. 2002, 230, 127-139
-
(2002)
Coord. Chem. Rev.
, vol.230
, pp. 127-139
-
-
Kaim, W.1
-
31
-
-
41949126572
-
8-Hydroxyquinolines in metallosupramolecular chemistry
-
Albrecht, M.; Fiege, M.; Osetska, O. 8-Hydroxyquinolines in Metallosupramolecular Chemistry. Coord. Chem. Rev. 2008, 252, 812-824
-
(2008)
Coord. Chem. Rev.
, vol.252
, pp. 812-824
-
-
Albrecht, M.1
Fiege, M.2
Osetska, O.3
-
32
-
-
79952754668
-
An 2-(2′-Aminophenyl) benzoxazole-based OFF-ON fluorescent chemosensor for Zn2+ in aqueous solution
-
Chen, M.; Lv, X.; Liu, Y.; et al. An 2-(2′-Aminophenyl) Benzoxazole-Based OFF-ON Fluorescent Chemosensor for Zn2+ in Aqueous Solution. Org. Biomol. Chem. 2011, 9, 2345-2349
-
(2011)
Org. Biomol. Chem.
, vol.9
, pp. 2345-2349
-
-
Chen, M.1
Lv, X.2
Liu, Y.3
-
33
-
-
79955370656
-
1-(2-Picolyl)- Substituted 1,2,3-triazole as novel chelating ligand for the preparation of ruthenium complexes with potential anticancer activity
-
Bratsos, I.; Urankar, D.; Zangrando, E.; et al. 1-(2-Picolyl)- Substituted 1,2,3-Triazole as Novel Chelating Ligand for the Preparation of Ruthenium Complexes with Potential Anticancer Activity. Dalton Trans. 2011, 40, 5188-5199
-
(2011)
Dalton Trans
, vol.40
, pp. 5188-5199
-
-
Bratsos, I.1
Urankar, D.2
Zangrando, E.3
-
34
-
-
0000540193
-
Functionalised 3 ,3[Prime or Minute]-Bipyridines- A new class of dinucleating ligands
-
Constable, C.E.; Morris, D.; Carr, S. Functionalised 3,3[Prime or Minute]-Bipyridines - A New Class of Dinucleating Ligands. N J Chem. 1998, 22, 287-294
-
(1998)
N J Chem.
, vol.22
, pp. 287-294
-
-
Constable, C.E.1
Morris, D.2
Carr, S.3
-
35
-
-
75749098088
-
Chelator fragment libraries for targeting metalloproteinases
-
Agrawal, A.; Johnson, S. L.; Jacobsen, J. A.; et al. Chelator Fragment Libraries for Targeting Metalloproteinases. ChemMedChem 2010, 5, 195-199.
-
(2010)
ChemMedChem
, vol.5
, pp. 195-199
-
-
Agrawal, A.1
Johnson, S.L.2
Jacobsen, J.A.3
|