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	Discovery of new MurF inhibitors via pharmacophore modeling and QSAR analysis followed by in-silico screening [My Copy] Bioorganic & Medicinal Chemistry, Vol. 16, No. 3. (1 February 2008), pp. 1218-1235. by Mutasem O. Taha, Naji Atallah, Amal G. Al-Bakri, et al.Catherine Paradis-Bleau, Hiba Zalloum, Khaled S. Younis, Roger C. Levesque posted to 3dqsar pharmacophore by daevans on 2008-02-11 21:30:31 as
	Rationalizing the Activities of Diverse Cholecystokinin 2 Receptor Antagonists Using Molecular Field Points [My Copy] J. Med. Chem. (18 January 2008) by Caroline M. Low, J. G. Vinter posted to 3dqsar cresset by daevans on 2008-01-18 15:46:28 as
	Ordinal Classification Using Comparative Molecular Field Analysis [My Copy] J. Chem. Inf. Model. (28 December 2007) by T. Ohgaru, R. Shimizu, K. Okamoto, et al.M. Kawase, Y. Shirakuni, R. Nishikiori, T. Takagi posted to 3dqsar comfa qsar by daevans on 2008-01-03 13:25:34 as
	MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities [My Copy] Journal of Computer-Aided Molecular Design, Vol. 12, No. 2. (1 March 1998), pp. 133-146. by Traian Sulea, Ludovic Kurunczi, Tudor I. Oprea, Zeno Simon posted to 3dqsar conformational-analysis pharmacophore by daevans on 2007-11-22 08:54:44 as
	A 3D QSAR Study on a Set of Dopamine D<sub>4</sub> Receptor Antagonists [My Copy] J. Chem. Inf. Comput. Sci., Vol. 43, No. 3. (27 May 2003), pp. 1020-1027. by J. Bostrom, M. Bohm, K. Gundertofte, G. Klebe posted to 3dqsar comfa comsia pharmacophore by daevans on 2007-11-05 09:51:12 as
	Consensus Adaptation of Fields for Molecular Comparison (AFMoC) Models Incorporate Ligand and Receptor Conformational Variability into Tailor-made Scoring Functions [My Copy] J. Chem. Inf. Model. (25 October 2007) by B. Breu, K. Silber, H. Gohlke posted to 3dqsar afmoc docking homology by daevans on 2007-10-25 22:50:15 as along with 1 person middledomain
	Three-Dimensional Quantitative Structure-Activity Relationship Analyses Using Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis To Elucidate Selectivity Differences of Inhibitors Binding to Trypsin, Thrombin, and Factor Xa [My Copy] J. Med. Chem., Vol. 42, No. 3. (11 February 1999), pp. 458-477. by M. Bohm, J. Sturzebecher, G. Klebe posted to 3dqsar comfa by daevans on 2007-10-10 17:58:12 as
	Topomer CoMFA: A Design Methodology for Rapid Lead Optimization [My Copy] J. Med. Chem., Vol. 46, No. 3. (30 January 2003), pp. 374-388. by R. D. Cramer posted to 3dqsar comfa topomer_comfa by daevans on 2007-09-12 17:40:56 as
	Incorporating Molecular Shape into the Alignment-free GRid-INdependent Descriptors [My Copy] J. Med. Chem., Vol. 47, No. 11. (20 May 2004), pp. 2805-2815. by F. Fontaine, M. Pastor, F. Sanz posted to 3dqsar grind by daevans on 2007-08-01 11:23:15 as along with 1 person tbinbal
	Treating Chemical Diversity in QSAR Analysis: Modeling Diverse HIV-1 Integrase Inhibitors Using 4D Fingerprints [My Copy] J. Chem. Inf. Model. (28 July 2007) by M. Iyer, A. J. Hopfinger posted to 3dqsar clustering qsar by daevans on 2007-07-30 09:58:07 as
	Multistructure 3D-QSAR Studies on a Series of Conformationally Constrained Butyrophenones Docked into a New Homology Model of the 5-HT2A Receptor [My Copy] J. Med. Chem., Vol. 50, No. 14. (12 July 2007), pp. 3242-3255. by C. Dezi, J. Brea, M. Alvarado, et al.E. Ravina, C. F. Masaguer, M. I. Loza, F. Sanz, M. Pastor posted to 3dqsar docking homology by daevans on 2007-07-08 18:47:42 as
	P2Y1 Antagonists: Combining Receptor-Based Modeling and QSAR for a Quantitative Prediction of the Biological Activity Based on Consensus Scoring [My Copy] J. Med. Chem., Vol. 50, No. 14. (12 July 2007), pp. 3229-3241. by S. Costanzi, I. G. Tikhonova, M. Ohno, et al.E. J. Roh, B. V. Joshi, A. O. Colson, D. Houston, S. Maddileti, T. K. Harden, K. A. Jacobson posted to 3dqsar docking gpcr homology by daevans on 2007-07-08 18:44:19 as
	Modeling assisted rational design of novel, potent, and selective pyrrolopyrimidine DPP-4 inhibitors [My Copy] Bioorganic & Medicinal Chemistry Letters, Vol. 17, No. 14. (15 July 2007), pp. 3877-3879. by Ying-Duo Gao, Dennis Feng, Robert P. Sheridan, et al.Giovanna Scapin, Sangita B. Patel, Joseph K. Wu, Xiaoping Zhang, Ranabir Sinha-Roy, Nancy A. Thornberry, Ann E. Weber, Tesfaye Biftu posted to 3dqsar by daevans on 2007-07-08 17:52:43 as
	Flexible 3D pharmacophores as descriptors of dynamic biological space [My Copy] Journal of Molecular Graphics and Modelling, Vol. In Press, Corrected Proof by James H. Nettles, Jeremy L. Jenkins, Chris Williams, et al.Alex M. Clark, Andreas Bender, Zhan Deng, John W. Davies, Meir Glick posted to 3dqsar binding_modes overlay virtual_screening by daevans on 2007-06-17 15:42:58 as
	3D QSAR Methods: Phase and Catalyst Compared [My Copy] J. Chem. Inf. Model. (4 May 2007) by D. A. Evans, T. N. Doman, D. A. Thorner, M. J. Bodkin posted to 3dqsar catalyst phase by daevans on 2007-05-13 14:00:17 as
	QMQSAR: Utilization of a semiempirical probe potential in a field-based QSAR method [My Copy] Journal of Computational Chemistry, Vol. 26, No. 1. (2005), pp. 23-34. by Steve Dixon, Kenneth M. Merz, Giorgio Lauri, James C. Ianni posted to 3dqsar qm by daevans on 2007-04-12 17:17:55 as
	Improved 3D-QSAR CoMFA of the dopamine transporter blockers with multiple conformations using the genetic algorithm [My Copy] Bioorganic & Medicinal Chemistry Letters, Vol. 16, No. 24. (15 December 2006), pp. 6267-6272. by Hongbin Yuan, Pavel A. Petukhov posted to gasp comfa 3dqsar by daevans on 2007-01-18 18:13:30 as
	A Comparison of Methods for Modeling Quantitative Structure-Activity Relationships [My Copy] J. Med. Chem., Vol. 47, No. 22. (21 October 2004), pp. 5541-5554. by J. J. Sutherland, L. A. O'Brien, D. F. Weaver posted to qsar comfa 3dqsar by daevans on 2007-01-18 17:32:31 as along with 2 people nsyafiqah9 elvinado
	3D QSAR Selectivity Analyses of Carbonic Anhydrase Inhibitors: Insights for the Design of Isozyme Selective Inhibitors [My Copy] J. Chem. Inf. Model., Vol. 46, No. 6. (27 November 2006), pp. 2737-2760. by A. Weber, M. Bohm, C. T. Supuran, A. Scozzafava, C. A. Sotriffer, G. Klebe posted to 3dqsar docking by daevans on 2006-12-17 14:31:28 as along with 1 person schuwi
	PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results [My Copy] Journal of Computer-Aided Molecular Design, Vol. 20, No. 10. (1 October 2006), pp. 647-671. by Steven Dixon, Alexander Smondyrev, Eric Knoll, Shashidhar Rao, David Shaw, Richard Friesner posted to 3dqsar overlay phase by daevans on 2006-12-08 16:02:45 as along with 1 person dragonrez
	Ligand-supported Homology Modelling of Protein Binding-sites using Knowledge-based Potentials [My Copy] Journal of Molecular Biology, Vol. 334, No. 2. (21 November 2003), pp. 327-345. by Andreas Evers, Holger Gohlke, Gerhard Klebe posted to 3dqsar homology mobile by daevans on 2006-10-29 15:07:53 as
	Homology model directed alignment selection for comparative molecular field analysis: Application to photosystemÂ II inhibitors [My Copy] Journal of Computer-Aided Molecular Design, Vol. V14, No. 2. (1 February 2000), pp. 181-197. by Mehran Jalaie, Jon A. Erickson posted to 3dqsar comfa docking by daevans on 2006-10-27 17:14:56 as
	Comparison of Conformational Analysis Techniques To Generate Pharmacophore Hypotheses Using Catalyst [My Copy] J. Chem. Inf. Model., Vol. 45, No. 2. (28 March 2005), pp. 461-476. by R. Kristam, V. J. Gillet, R. A. Lewis, D. Thorner posted to 3dqsar catalyst by daevans on 2006-10-07 15:42:50 as
	Influence of the Conditions in Pharmacophore Generation, Scoring, and 3D Database Search for Chemical Feature-Based Pharmacophore Models: One Application Study of ET<sub>A</sub>- and ET<sub>B</sub>-Selective Antagonists [My Copy] J. Chem. Inf. Model., Vol. 46, No. 3. (22 May 2006), pp. 1439-1455. by J. R. Cucarull-Gonzalez, C. Laggner, T. Langer posted to 3dqsar catalyst eta by daevans on 2006-10-07 15:34:34 as
	Pharmacophore Based Receptor Modeling: The Case of Adenosine A<sub>3</sub> Receptor Antagonists. An Approach to the Optimization of Protein Models [My Copy] J. Med. Chem., Vol. 49, No. 14. (13 July 2006), pp. 4085-4097. by A. Tafi, C. Bernardini, M. Botta, et al.F. Corelli, M. Andreini, A. Martinelli, G. Ortore, P. G. Baraldi, F. Fruttarolo, P. A. Borea, T. Tuccinardi posted to 3dqsar a3 autodock catalyst by daevans on 2006-10-07 15:30:10 as
	Molecular Design Based on 3D-Pharmacophore. Application to 5-HT<sub>4</sub> Receptor [My Copy] J. Chem. Inf. Model., Vol. 42, No. 4. (22 July 2002), pp. 962-967. by R. Bureau, C. Daveu, S. Lemaitre, et al.F. Dauphin, H. Landelle, J. C. Lancelot, S. Rault posted to 3dqsar 5ht4 catalyst by daevans on 2006-10-07 14:56:48 as
	Pharmacophore Mapping of a Series of 2,4-Diamino-5-deazapteridine Inhibitors of <i>Mycobacterium avium</i> Complex Dihydrofolate Reductase [My Copy] J. Med. Chem., Vol. 45, No. 1. (3 January 2002), pp. 41-53. by A. K. Debnath posted to 3dqsar catalyst dhfr by daevans on 2006-10-07 14:49:26 as
	Using Pharmacophore Models To Gain Insight into Structural Binding and Virtual Screening: An Application Study with CDK2 and Human DHFR [My Copy] J. Chem. Inf. Model., Vol. 46, No. 2. (27 March 2006), pp. 728-735. by S. Toba, J. Srinivasan, A. J. Maynard, J. Sutter posted to 3dqsar catalyst excluded_volume by daevans on 2006-10-07 14:43:04 as
	Evaluation and Comparison of 3D-QSAR CoMSIA Models for CDK1, CDK5, and GSK-3 Inhibition by Paullones [My Copy] J. Med. Chem., Vol. 47, No. 1. (1 January 2004), pp. 22-36. by C. Kunick, K. Lauenroth, K. Wieking, et al.X. Xie, C. Schultz, R. Gussio, D. Zaharevitz, M. Leost, L. Meijer, A. Weber, F. S. Jorgensen, T. Lemcke posted to 3dqsar cdk comsia by daevans on 2006-08-30 16:13:06 as
	Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations [My Copy] J. Chem. Inf. Model., Vol. 46, No. 4. (24 July 2006), pp. 1848-1861. by J. Kirchmair, G. Wolber, C. Laggner, T. Langer posted to 3dqsar catalyst by daevans on 2006-08-30 16:12:15 as along with 1 person thanatos
	Computational studies of COX-2 inhibitors: 3D-QSAR and docking [My Copy] Bioorganic & Medicinal Chemistry, Vol. 12, No. 7. (1 April 2004), pp. 1629-1641. by Hye-Jung Kim, Chong H. Chae, Kyu Y. Yi, Kyung-Lae Park, Sung-Eun Yoo posted to 3dqsar comfa comsia cox2 by daevans on 2006-08-30 16:06:05 as

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qsar	3
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Tag 3dqsar [31 articles] Export Sort

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