-
1
-
-
0003599516
-
Wirkstoffdesign, Der Weg zum Arzneimittel
-
Spektrum Akademischer Verlag, Heidelberg.
-
Böhm, H.-J., Klebe, G. and Kubinyi, H. (2002) Wirkstoffdesign, Der Weg zum Arzneimittel, Spektrum Akademischer Verlag, Heidelberg.
-
(2002)
-
-
Böhm, H.-J.1
Klebe, G.2
Kubinyi, H.3
-
2
-
-
63849208942
-
Molecular Visualization in the Rational Drug Design Process
-
Keil, M., Marhöfer, R.J., Rohwer, A., Selzer, P.M., Brickmann, J., Korb, O. and Exner, T.E. (2009) Molecular Visualization in the Rational Drug Design Process. Frontiers in Bioscience, 14, 2553-2558.
-
(2009)
Frontiers in Bioscience
, vol.14
, pp. 2553-2558
-
-
Keil, M.1
Marhöfer, R.J.2
Rohwer, A.3
Selzer, P.M.4
Brickmann, J.5
Korb, O.6
Exner, T.E.7
-
3
-
-
17744409919
-
Application of High-Throughput Screening Techniques to Drug Discovery
-
Cox, B., Denyer, J.C. and Binnie, A. (2000) Application of High-Throughput Screening Techniques to Drug Discovery. Progress in Medicinal Chemistry, 37, 83-133.
-
(2000)
Progress in Medicinal Chemistry
, vol.37
, pp. 83-133
-
-
Cox, B.1
Denyer, J.C.2
Binnie, A.3
-
4
-
-
33845730433
-
High-Throughput Chemistry
-
in, (ed. J. Gasteiger), Wiley-VCH, Weinheim
-
Warr, W. (2003) High-Throughput Chemistry, in Handbook of Chemoinformatics: From Data to Knowledge (ed. J. Gasteiger), Wiley-VCH, Weinheim, pp. 1604-1639.
-
(2003)
Handbook of Chemoinformatics: From Data to Knowledge
, pp. 1604-1639
-
-
Warr, W.1
-
5
-
-
84956731896
-
Virtual Screening for Bioactive Molecules
-
Wiley-VCH, Weinheim.
-
Böhm, H.-J. and Schneider, G. (2000) Virtual Screening for Bioactive Molecules, Wiley-VCH, Weinheim.
-
(2000)
-
-
Böhm, H.-J.1
Schneider, G.2
-
6
-
-
35348821202
-
Virtual Screening Strategies in Drug Discovery
-
McInnes, C. (2007) Virtual Screening Strategies in Drug Discovery. Current Opinion in Chemical Biology, 11, 494-502.
-
(2007)
Current Opinion in Chemical Biology
, vol.11
, pp. 494-502
-
-
McInnes, C.1
-
7
-
-
0002606755
-
Virtual Screening-An Overview
-
Walters, W.P., Stahl, M.T. and Murcko, M.A. (1998) Virtual Screening-An Overview. Drug Discovery Today, 3, 160-178.
-
(1998)
Drug Discovery Today
, vol.3
, pp. 160-178
-
-
Walters, W.P.1
Stahl, M.T.2
Murcko, M.A.3
-
8
-
-
84956773910
-
Library Filtering Systems and Prediction of Drug-Like Properties
-
in, (eds H-.J. Böhm and G. Schneider), Wiley-VCH, Weinheim
-
Walters, W.P. and Murcko, M.A. (2000) Library Filtering Systems and Prediction of Drug-Like Properties, in Virtual Screeningfor Bioactive Molecules (eds H-.J. Böhm and G. Schneider), Wiley-VCH, Weinheim, pp. 15-31.
-
(2000)
Virtual Screeningfor Bioactive Molecules
, pp. 15-31
-
-
Walters, W.P.1
Murcko, M.A.2
-
9
-
-
0031024171
-
Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings
-
Lipinski, C.A., Lombardo, F., Dominy, B.W. and Feeney, P.J. (1997) Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings. Advances in Drug Delivery Research, 23, 3-25.
-
(1997)
Advances in Drug Delivery Research
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
10
-
-
0011377311
-
Descriptor-based Similarity Measures for Screening Chemical Databases
-
in, (eds H-.J. Bohm and G. Schneider), Wiley-VCH, Weinheim
-
Barnard, J.M., Downs, G.M. and Willet, P. (2000) Descriptor-based Similarity Measures for Screening Chemical Databases, in Virtual Screeningfor Bioactive Molecules (eds H-.J. Bohm and G. Schneider), Wiley-VCH, Weinheim, pp. 59-79.
-
(2000)
Virtual Screeningfor Bioactive Molecules
, pp. 59-79
-
-
Barnard, J.M.1
Downs, G.M.2
Willet, P.3
-
11
-
-
33845761505
-
Pharmacophor and Drug Design
-
in, (ed. J. Gasteiger), Wiley-VCH, Weinheim
-
Nicklaus, M.C. (2003) Pharmacophor and Drug Design, in Handbook of Chemoinformatics, From Data to Knowledge (ed. J. Gasteiger), Wiley-VCH, Weinheim, pp. 1687-1711.
-
(2003)
Handbook of Chemoinformatics, From Data to Knowledge
, pp. 1687-1711
-
-
Nicklaus, M.C.1
-
12
-
-
84956796236
-
Structure-Based Library Design
-
in, (eds H-.J. Bohm and G. Schneider), Wiley-VCH, Weinheim
-
Stahl, M. (2000) Structure-Based Library Design, in Virtual Screening for Bioactive Molecules (eds H-.J. Bohm and G. Schneider), Wiley-VCH, Weinheim, pp. 229-264.
-
(2000)
Virtual Screening for Bioactive Molecules
, pp. 229-264
-
-
Stahl, M.1
-
13
-
-
42149184268
-
Cross-Docking of Inhibitors into CDK2 Structures 1
-
Duca, S.J., Madison, V.S. and Voigt, J.H. (2008) Cross-Docking of Inhibitors into CDK2 Structures 1. Journal of Chemical Information and Modeling, 48, 659-668.
-
(2008)
Journal of Chemical Information and Modeling
, vol.48
, pp. 659-668
-
-
Duca, S.J.1
Madison, V.S.2
Voigt, J.H.3
-
14
-
-
42149098914
-
Cross-Docking of Inhibitors into CDK2 Structures 2
-
Voigt, J.H., Elkin, C., Madison, V.S. and Duca, J.S. (2008) Cross-Docking of Inhibitors into CDK2 Structures 2. Journal of Chemical Information and Modeling, 48, 669-678.
-
(2008)
Journal of Chemical Information and Modeling
, vol.48
, pp. 669-678
-
-
Voigt, J.H.1
Elkin, C.2
Madison, V.S.3
Duca, J.S.4
-
15
-
-
34547673017
-
Comparison of Topological, Shape, and Docking Methods in Virtual Screening
-
McGaughey, G.B., Sheridan, R.P., Bayly, C.I., Culberson, J.C., Kreatsoulas, C., Lindsley, S., Maiorov, V. et al. (2007) Comparison of Topological, Shape, and Docking Methods in Virtual Screening. Journal of Chemical Information and Modeling, 47, 1504-1519.
-
(2007)
Journal of Chemical Information and Modeling
, vol.47
, pp. 1504-1519
-
-
McGaughey, G.B.1
Sheridan, R.P.2
Bayly, C.I.3
Culberson, J.C.4
Kreatsoulas, C.5
Lindsley, S.6
Maiorov, V.7
-
16
-
-
0031282334
-
Leishmania major: Molecular Modeling of Cysteine Proteases and Prediction of New Nonpeptide Inhibitors
-
Selzer, P.M., Chen, X., Chan, V.J., Cheng, M., Kenyon, G.L., Kuntz, I.D., Sakanari, J.A. et al. (1997) Leishmania major: Molecular Modeling of Cysteine Proteases and Prediction of New Nonpeptide Inhibitors. Experimental Parasitology, 87, 212-221.
-
(1997)
Experimental Parasitology
, vol.87
, pp. 212-221
-
-
Selzer, P.M.1
Chen, X.2
Chan, V.J.3
Cheng, M.4
Kenyon, G.L.5
Kuntz, I.D.6
Sakanari, J.A.7
-
17
-
-
13044256387
-
Cysteine Protease Inhibitors as Chemotherapy: Lessons from a Prasite Target
-
Selzer, P.M., Pingel, S., Hsieh, I., Ugele, B., Chan, V.J., Engel, J.C., Bogyo, M. et al. (1999) Cysteine Protease Inhibitors as Chemotherapy: Lessons from a Prasite Target. Proceedings of the National Academy of Sciences of the United States of America, 96, 11015-11022.
-
(1999)
Proceedings of the National Academy of Sciences of the United States of America
, vol.96
, pp. 11015-11022
-
-
Selzer, P.M.1
Pingel, S.2
Hsieh, I.3
Ugele, B.4
Chan, V.J.5
Engel, J.C.6
Bogyo, M.7
-
18
-
-
84891012757
-
Structure-Based-Rational-Drug-Design: Neue Wege der modernen Wirkstoffentwicklung
-
in, (eds R. Lucius, T. Hiepe and B. Gottstein), Parey Buchverlag, Berlin.
-
Selzer, P.M. (2005) Structure-Based-Rational-Drug-Design: Neue Wege der modernen Wirkstoffentwicklung, in Allgemeine Parasitologie (eds R. Lucius, T. Hiepe and B. Gottstein), Parey Buchverlag, Berlin.
-
(2005)
Allgemeine Parasitologie
-
-
Selzer, P.M.1
-
19
-
-
0003653901
-
Molecular Modeling, Basic Principles and Applications
-
Wiley-VCH, Weinheim.
-
Holtje, H.-D., Sippl, W., Rognan, D. and Folkers, G. (2003) Molecular Modeling, Basic Principles and Applications, Wiley-VCH, Weinheim.
-
(2003)
-
-
Holtje, H.-D.1
Sippl, W.2
Rognan, D.3
Folkers, G.4
-
20
-
-
0036479301
-
Role of Trehalose Phosphate Synthase in Anoxia Tolerance and Development in Drosophila melanogaster
-
Chen, Q., Ma, E., Behar, K.L., Xu, T. and Haddad, G.G. (2002) Role of Trehalose Phosphate Synthase in Anoxia Tolerance and Development in Drosophila melanogaster. The Journal of Biological Chemistry, 277, 3274-3279.
-
(2002)
The Journal of Biological Chemistry
, vol.277
, pp. 3274-3279
-
-
Chen, Q.1
Ma, E.2
Behar, K.L.3
Xu, T.4
Haddad, G.G.5
-
21
-
-
84890988119
-
Method for the Disruption of Biological Material
-
EP1595943.
-
Kern, C. (2008) Method for the Disruption of Biological Material, EP1595943.
-
(2008)
-
-
Kern, C.1
-
22
-
-
0031080082
-
The Role of Trehalose in the Physiology of Nematodes
-
Behm, C.A. (1997) The Role of Trehalose in the Physiology of Nematodes. International Journal for Parasitology, 27, 215-229.
-
(1997)
International Journal for Parasitology
, vol.27
, pp. 215-229
-
-
Behm, C.A.1
-
23
-
-
84890968008
-
Trehalose-6-Phosphatsynthase als Zielprotein zur Entwicklung eines Antiparasitikums
-
Diplomarbeit im Fachbereich Verfahrenstechnik, Fachhochschule Bingen.
-
Engels, K. (2005) Trehalose-6-Phosphatsynthase als Zielprotein zur Entwicklung eines Antiparasitikums, Diplomarbeit im Fachbereich Verfahrenstechnik, Fachhochschule Bingen.
-
(2005)
-
-
Engels, K.1
-
24
-
-
33749438082
-
Identification and Characterisation of the Dopamine Receptor II from the Cat Flea Ctenocephalides felis (CfDopRII)
-
Gerber, S., Krasky, A., Rohwer, A., Lindauer, S., Closs, E., Rognan, D. and Gunkel, N. (2006) Identification and Characterisation of the Dopamine Receptor II from the Cat Flea Ctenocephalides felis (CfDopRII). Insect Biochemistry and Molecular Biology, 36, 749-758.
-
(2006)
Insect Biochemistry and Molecular Biology
, vol.36
, pp. 749-758
-
-
Gerber, S.1
Krasky, A.2
Rohwer, A.3
Lindauer, S.4
Closs, E.5
Rognan, D.6
Gunkel, N.7
-
25
-
-
33645036973
-
Development and Virtual Screening of Target Libraries
-
Rognan, D. (2006) Development and Virtual Screening of Target Libraries. Journal of Physiology, 99, 232-244.
-
(2006)
Journal of Physiology
, vol.99
, pp. 232-244
-
-
Rognan, D.1
-
26
-
-
84891006919
-
In silico Screening Towards the Dopaminergic Receptor of the Cat Flea Ctenocephalides felis Abstracts of Papers
-
232nd ACS National Meeting, San Francisco, USA.
-
Cramer, J., Klinger, A., Gerber, S. and Selzer, P.M. (2006) In silico Screening Towards the Dopaminergic Receptor of the Cat Flea Ctenocephalides felis Abstracts of Papers. 232nd ACS National Meeting, San Francisco, USA.
-
(2006)
-
-
Cramer, J.1
Klinger, A.2
Gerber, S.3
Selzer, P.M.4
-
27
-
-
33845779764
-
The Impact of Tautomer Forms on Pharmacophor-based Virtual Screening
-
Oellien, F., Cramer, J., Beyer, C., Ihlenfeldt, W.-D. and Selzer, P.M. (2006) The Impact of Tautomer Forms on Pharmacophor-based Virtual Screening. Journal of Chemical Information and Modeling, 46, 2342-2354.
-
(2006)
Journal of Chemical Information and Modeling
, vol.46
, pp. 2342-2354
-
-
Oellien, F.1
Cramer, J.2
Beyer, C.3
Ihlenfeldt, W.-D.4
Selzer, P.M.5
-
28
-
-
0028854034
-
Molecular Recognition of Receptor Sites Using a Genetic Algorithm with a Description of Desolvation
-
Jones, G., Willet, P. and Glen, R.C. (1995) Molecular Recognition of Receptor Sites Using a Genetic Algorithm with a Description of Desolvation. Journal of Molecular Biology, 245, 43-53.
-
(1995)
Journal of Molecular Biology
, vol.245
, pp. 43-53
-
-
Jones, G.1
Willet, P.2
Glen, R.C.3
-
29
-
-
0029062889
-
De novo Design of Enzyme Inhibitors by Monte Carlo Ligand Generation
-
Gehlhaar, D.K., Moerder, K.E., Zichi, D., Sherman, C.J., Ogden, R.C. and Freer, S.T. (1995) De novo Design of Enzyme Inhibitors by Monte Carlo Ligand Generation. Journal of Medicinal Chemistry, 38, 466-472.
-
(1995)
Journal of Medicinal Chemistry
, vol.38
, pp. 466-472
-
-
Gehlhaar, D.K.1
Moerder, K.E.2
Zichi, D.3
Sherman, C.J.4
Ogden, R.C.5
Freer, S.T.6
-
30
-
-
15244346501
-
LigScore: A Novel Scoring Function for Predicting Binding Affinities
-
Krammer, A., Kirchhoff, P.D., Jiang, X., Venkatachalam, C.M. and Waldman, M. (2005) LigScore: A Novel Scoring Function for Predicting Binding Affinities. Journal of Molecular Graphics, 23, 395-407.
-
(2005)
Journal of Molecular Graphics
, vol.23
, pp. 395-407
-
-
Krammer, A.1
Kirchhoff, P.D.2
Jiang, X.3
Venkatachalam, C.M.4
Waldman, M.5
-
31
-
-
0027027467
-
LUDI: Rule-based Automatic Design of New Substituents for Enzyme Inhibitor Leads
-
Bohm, H.J. (1992) LUDI: Rule-based Automatic Design of New Substituents for Enzyme Inhibitor Leads. Journal of Computer-Aided Molecular Design, 6, 593-606.
-
(1992)
Journal of Computer-Aided Molecular Design
, vol.6
, pp. 593-606
-
-
Bohm, H.J.1
-
32
-
-
0031226772
-
Empirical Scoring Functions: I. The Development of a Fast Empirical Scoring Function to Estimate the Binding Affinity of Ligands in Receptor Complexes
-
Eldridge, M.D., Murray, C.W., Auton, T.R., Paolini, G.V. and Mee, R.P. (1997) Empirical Scoring Functions: I. The Development of a Fast Empirical Scoring Function to Estimate the Binding Affinity of Ligands in Receptor Complexes. Journal of Computer-Aided Molecular Design, 11, 425-445.
-
(1997)
Journal of Computer-Aided Molecular Design
, vol.11
, pp. 425-445
-
-
Eldridge, M.D.1
Murray, C.W.2
Auton, T.R.3
Paolini, G.V.4
Mee, R.P.5
-
33
-
-
0030255303
-
Scoring Noncovalent Protein-Ligand Interactions: A Continuous Differentiable Function Tuned to Compute Binding Affinities
-
Jain, A.N. (1996) Scoring Noncovalent Protein-Ligand Interactions: A Continuous Differentiable Function Tuned to Compute Binding Affinities. Journal of Computer-Aided Molecular Design, 10, 427-440.
-
(1996)
Journal of Computer-Aided Molecular Design
, vol.10
, pp. 427-440
-
-
Jain, A.N.1
-
34
-
-
0033566211
-
Evaluation of PMF Scoring in Docking Weak Ligands to the FK506 Binding Protein
-
Muegge, I., Martin, Y.C., Hajduk, P.J. and Fesik, S.W. (1999) Evaluation of PMF Scoring in Docking Weak Ligands to the FK506 Binding Protein. Journal of Medicinal Chemistry, 42, 2498-2503.
-
(1999)
Journal of Medicinal Chemistry
, vol.42
, pp. 2498-2503
-
-
Muegge, I.1
Martin, Y.C.2
Hajduk, P.J.3
Fesik, S.W.4
|