-
1
-
-
0035324944
-
Molecular complexity and its impact on the probability of finding leads for drug discovery
-
Hann, M.M., Leach, A.R. and Harper, G. (2001) Molecular complexity and its impact on the probability of finding leads for drug discovery J.Chem.Inf.Comput.Sci. 41 , 856-864.
-
(2001)
J.Chem.Inf.Comput.Sci.
, vol.41
, pp. 856-864
-
-
Hann, M.M.1
Leach, A.R.2
Harper, G.3
-
2
-
-
4344592378
-
Fragment-based lead discovery
-
Rees, D.C., Congreve, M., Murray, C.W. and Carr, R. (2004) Fragment-based lead discovery Nat. Rev. Drug Disc. 3 , 660-672. (Pubitemid 39173507)
-
(2004)
Nature Reviews Drug Discovery
, vol.3
, Issue.8
, pp. 660-672
-
-
Ress, D.C.1
Congreve, M.2
Murray, C.W.3
Carr, R.4
-
3
-
-
0036051992
-
High-throughput crystallography for lead discovery in drug design
-
Blundell, T.L., Jhoti, H. and Abell, C. (2002) High-throughput crystallography for lead discovery in drug design Nat. Rev. Drug Disc. 1 , 45-54. (Pubitemid 37361403)
-
(2002)
Nature Reviews Drug Discovery
, vol.1
, Issue.1
, pp. 45-54
-
-
Blundell, T.L.1
Jhoti, H.2
Abell, C.3
-
4
-
-
0033773899
-
Discovering novel ligands for macromolecules using X-ray crystallographic screening
-
Nienaber, V.L., Richardson, P.L., Klighofer, V., Bouska, J.J., Giranda, V.L. and Greer, J. (2000) Discovering novel ligands for macromolecules using X-ray crystallographic screening Nat. Biotechnol. 18 , 1105-1108.
-
(2000)
Nat. Biotechnol.
, vol.18
, pp. 1105-1108
-
-
Nienaber, V.L.1
Richardson, P.L.2
Klighofer, V.3
Bouska, J.J.4
Giranda, V.L.5
Greer, J.6
-
5
-
-
33847381100
-
A decade of fragment-based drug design; Strategic advances and lessons learned
-
Hajduk, P.J. and Greer, J. (2007) A decade of fragment-based drug design; strategic advances and lessons learned Nat. Rev. Drug Disc. 6 , 212-219.
-
(2007)
Nat. Rev. Drug Disc.
, vol.6
, pp. 212-219
-
-
Hajduk, P.J.1
Greer, J.2
-
6
-
-
0033621044
-
The maximal affinity of ligands
-
DOI 10.1073/pnas.96.18.9997
-
Kuntz,I.D., Chen, K., Sharp, P.A. and Kollman, P.A. (1999) The maximal affinity of ligands Proc.Natl.Acad.Sci.U.S.A. 96 , 9997-10002. (Pubitemid 29422500)
-
(1999)
Proceedings of the National Academy of Sciences of the United States of America
, vol.96
, Issue.18
, pp. 9997-10002
-
-
Kuntz, I.D.1
Chen, K.2
Sharp, K.A.3
Kollman, P.A.4
-
7
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
DOI 10.1016/S0169-409X(96)00423-1, PII S0169409X96004231
-
Lipinski, C.A., Lombardo, B.W. Dominy and P.J. Feeney (1997) Experimental and omputational approaches to estimate solubility and permeability in drug discovery and development settings Adv. Drug Del. Rev. 23 , 3-25. (Pubitemid 27046991)
-
(1997)
Advanced Drug Delivery Reviews
, vol.23
, Issue.1-3
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
8
-
-
12344273726
-
The blood-brain barrier: Bottleneck in brain drug development
-
DOI 10.1602/neurorx.2.1.3
-
Pardridge, W.M. (2005) The Blood-brain Barrier: Bottleneck in Brain Drug Development The journal of the American Society for Experimental NeuroTherapeutics 2 , 3-14. (Pubitemid 40128022)
-
(2005)
NeuroRx
, vol.2
, Issue.1
, pp. 3-14
-
-
Pardridge, W.M.1
-
9
-
-
33749262286
-
Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase
-
DOI 10.1021/jm060429m
-
Bosch, J., Robien, M.A., Mehlin, C., Boni, E., Riechers, A., Buckner, F.S., Van Voorhis, W.C., Myler, P.J., Worthey, E.A., DeTitta, G., Luft, J.R., Lauricella, A., Gulde, S., Anderson, L.A., Kalyuzhniy, O., Neely, H.M., Ross, J., Earnest, T.N., Soltis, M., Schoenfeld, L., Zucker, F., Merritt, E.A., Fan, E., Verlinde, C.L.M.J. and Hol, W.G.J. (2006) Using Fragment Cocktail Crystallography To Assist Inhibitor Design of Trypanosoma brucei Nucleoside 2-Deoxyribosyltransferase J.Med Chem. 49 , 5939-5946. (Pubitemid 44484940)
-
(2006)
Journal of Medicinal Chemistry
, vol.49
, Issue.20
, pp. 5939-5946
-
-
Bosch, J.1
Robien, M.A.2
Mehlin, C.3
Boni, E.4
Riechers, A.5
Buckner, F.S.6
Van Voorhis, W.C.7
Myler, P.J.8
Worthey, E.A.9
DeTitta, G.10
Luft, J.R.11
Lauricella, A.12
Gulde, S.13
Anderson, L.A.14
Kalyuzhniy, O.15
Neely, H.M.16
Ross, J.17
Earnest, T.N.18
Soltis, M.19
Schoenfeld, L.20
Zucker, F.21
Merritt, E.A.22
Fan, E.23
Verlinde, C.L.M.J.24
Hol, W.G.J.25
more..
-
10
-
-
0141726877
-
A 'Rule of Three' for fragment-based lead discovery?
-
DOI 10.1016/S1359-6446(03)02831-9, PII S1359644603028319
-
Congreve, M., Carr, R., Murray, C. and Jhoti, H. (2003) A 'rule of three' for fragment-based lead discovery? Drug Discovery Today 8 , 876-877. (Pubitemid 37194496)
-
(2003)
Drug Discovery Today
, vol.8
, Issue.19
, pp. 876-877
-
-
Congreve, M.1
Carr, R.2
Murray, C.3
Jhoti, H.4
-
11
-
-
36248956723
-
The SeeDs approach: Integrating fragments into drug discovery
-
Hubbard, R.E., Davis, B., Chen, I. and Drysdale, M.J. (2007) The SeeDs Approach: Integrating Fragments into Drug Discovery Current Topics in Medicinal Chemistry 7 , 1-13.
-
(2007)
Current Topics in Medicinal Chemistry
, vol.7
, pp. 1-13
-
-
Hubbard, R.E.1
Davis, B.2
Chen, I.3
Drysdale, M.J.4
-
12
-
-
12344318177
-
Fragment-based lead discovery using X-ray crystallography
-
DOI 10.1021/jm0495778
-
Hartshorn, M.J., Murray, C.W., Cleasby, A., Frederickson, M., Tickle, I.J. and Jhoti, H. (2005) Fragment-Based Lead Discovery Using X-ray Crystallography JACS 48 , 403-413. (Pubitemid 40139783)
-
(2005)
Journal of Medicinal Chemistry
, vol.48
, Issue.2
, pp. 403-413
-
-
Hartshorn, M.J.1
Murray, C.W.2
Cleasby, A.3
Frederickson, M.4
Tickle, I.J.5
Jhoti, H.6
-
13
-
-
0028103275
-
The CCP4 suite: Programs for protein crystallography
-
Collaborative Computational Project, Number 4
-
Collaborative Computational Project, Number 4 (1994) The CCP4 Suite: Programs for Protein Crystallography Acta Cryst. D50 , 760-763.
-
(1994)
Acta Cryst.
, vol.D50
, pp. 760-763
-
-
-
14
-
-
3543012707
-
Crystallography & NMR system: A new software suite for macromolecular structure determination
-
Brünger, A.T., Adams, P.D., Clore, G.M., DeLano, W.L., Gros,P., Grosse-Kunstleve, R.W., Jiang, J.-S., Kuszewski, J., Nilges, M., Pannu, N.S., Read, R.J., Rice, L.M., Simonson, T. and Warren, G.L. (1998) Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination Acta Cryst. D 54 , 905-921.
-
(1998)
Acta Cryst. D
, vol.54
, pp. 905-921
-
-
Brünger, A.T.1
Adams, P.D.2
Clore, G.M.3
Grosp, D.L.W.4
Grosse-Kunstleve, R.W.5
Jiang, J.-S.6
Kuszewski, J.7
Nilges, M.8
Pannu, N.S.9
Read, R.J.10
Rice, L.M.11
Simonson, T.12
Warren, G.L.13
-
15
-
-
33748636243
-
Automated protein-ligand crystallography for structure-based drug design
-
DOI 10.1002/cmdc.200600074
-
Mooij, W.T.M., Hartshorn, M.J., Tickle, I.J., Sharff, A.J., Verdonk, M.L. and Jhoti, H. (2006) Automated Protein-Ligand Crystallography for Structure-Based Drug Design Chem. Med. Chem . 1 , 827-838. (Pubitemid 44384544)
-
(2006)
ChemMedChem
, vol.1
, Issue.8
, pp. 827-838
-
-
Mooij, W.T.M.1
Hartshorn, M.J.2
Tickle, I.J.3
Sharff, A.J.4
Verdonk, M.L.5
Jhoti, H.6
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