Group: insilicodrug - library 179 articles Export Sort

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	Hierarchical Docking of Databases of Multiple Ligand Conformations [My Copy] posted to docking by sangeetha to the group insilicodrug on 2006-05-01 08:52:44 as along with 1 group Bioinformatics
	Biochem. Soc. Trans (2003) 31, 980-984 - R.T. Kroemer - Intermolecular Associations in 2D and 3D [My Copy] posted to docking by sangeetha to the group insilicodrug on 2006-01-27 07:16:22 as along with 1 group Bioinformatics
	Structure-based discovery of small molecule inhibitors targeted to protein tyrosine phosphatase 1B. [My Copy] J Med Chem, Vol. 43, No. 2. (27 January 2000), pp. 146-155. by M. Sarmiento, L. Wu, Y. F. Keng, et al.L. Song, Z. Luo, Z. Huang, G. Z. Wu, A. K. Yuan, Z. Y. Zhang posted to docking by sangeetha to the group insilicodrug on 2006-01-27 06:08:58 as along with 1 group Bioinformatics
	High-throughput virtual screening for drug discovery in parallel. [My Copy] Curr Opin Drug Discov Devel, Vol. 5, No. 3. (May 2002), pp. 414-421. by L. M. Toledo-Sherman, D. Chen posted to screening virtual by sangeetha to the group insilicodrug on 2006-01-25 07:27:47 as along with 1 group Bioinformatics
	Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach. [My Copy] J Med Chem, Vol. 46, No. 21. (9 October 2003), pp. 4377-4392. by J. Varady, X. Wu, X. Fang, et al.J. Min, Z. Hu, B. Levant, S. Wang posted to docking by sangeetha to the group insilicodrug on 2006-01-25 07:26:17 as along with 1 group Bioinformatics
	Guided Docking Approaches to Structure-Based Design and Screening [My Copy] Current Topics in Medicinal Chemistry, Vol. 4, No. 7. (March 2004), pp. 687-700. by X. Fradera, J. Mestres posted to docking by sangeetha to the group insilicodrug on 2006-01-25 06:47:02 as along with 3 people and 2 groups oteri LamBras dgruiz Structural Biology Group TorVergata Bioinformatics
	DOCKING AND SCORING IN VIRTUAL SCREENING FOR DRUG DISCOVERY: METHODS AND APPLICATIONS [My Copy] Nat Rev Drug Discov, Vol. 3, No. 11. (November 2004), pp. 935-949. by Douglas B. Kitchen, Helene Decornez, John R. Furr, Jurgen Bajorath posted to docking by sangeetha to the group insilicodrug on 2006-01-25 06:35:11 as along with 5 people and 1 group Lombardo_7 LamBras blackbart schlauchi mingzhi Bioinformatics
	DESIGNING SCREENS: HOW TO MAKE YOUR HITS A HIT [My Copy] Nat Rev Drug Discov, Vol. 2, No. 4. (April 2003), pp. 259-266. by Patrick W. Walters, Mark Namchuk posted to general by sangeetha to the group insilicodrug on 2006-01-25 06:30:56 as along with 1 person and 1 group rmk Bioinformatics
	Computational design strategies for combinatorial libraries [My Copy] Current Opinion in Chemical Biology, Vol. 7, No. 3. (June 2003), pp. 331-339. by S. Rose, A. Stevens posted to no-tag by sangeetha to the group insilicodrug on 2006-01-25 06:28:42 as along with 1 group Bioinformatics
	Mimicking dominant negative inhibition of prion replication through structure-based drug design [My Copy] PNAS, Vol. 97, No. 11. (23 May 2000), pp. 6073-6078. by Veronique Perrier, Andrew C. Wallace, Kiyotoshi Kaneko, Jiri Safar, Stanley B. Prusiner, Fred E. Cohen posted to docking by sangeetha to the group insilicodrug on 2006-01-25 06:18:13 as along with 1 group Bioinformatics
	Rational discovery of novel nuclear hormone receptor antagonists [My Copy] PNAS, Vol. 97, No. 3. (1 February 2000), pp. 1008-1013. by Matthieu Schapira, Bruce M. Raaka, Herbert H. Samuels, Ruben Abagyan posted to docking by sangeetha to the group insilicodrug on 2006-01-25 05:53:46 as along with 1 group Bioinformatics
	Discovery of diverse thyroid hormone receptor antagonists by high-throughput docking [My Copy] PNAS, Vol. 100, No. 12. (10 June 2003), pp. 7354-7359. by Matthieu Schapira, Bruce M. Raaka, Sharmistha Das, et al.Li Fan, Maxim Totrov, Zhiguo Zhou, Stephen R. Wilson, Ruben Abagyan, Herbert H. Samuels posted to docking by sangeetha to the group insilicodrug on 2006-01-25 05:52:43 as along with 1 group Bioinformatics
	Identification of small-molecule inhibitors of human angiogenin and characterization of their binding interactions guided by computational docking. [My Copy] Biochemistry, Vol. 42, No. 22. (10 June 2003), pp. 6674-6687. by J. L. Jenkins, R. Shapiro posted to virtual_screening by sangeetha to the group insilicodrug on 2006-01-24 07:10:46 as along with 1 group Bioinformatics
	Do structurally similar molecules have similar biological activity? [My Copy] J Med Chem, Vol. 45, No. 19. (12 September 2002), pp. 4350-4358. by Y. C. Martin, J. L. Kofron, L. M. Traphagen posted to docking by sangeetha to the group insilicodrug on 2006-01-24 07:05:58 as along with 2 people and 1 group reyez kuhn Bioinformatics
	Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods [My Copy] J Biomol Screen, Vol. 10, No. 7. (1 October 2005), pp. 675-681. by Katarzyna Bernacki, Chakrapani Kalyanaraman, Matthew P. Jacobson posted to virtual_screening by sangeetha to the group insilicodrug on 2006-01-24 07:02:16 as along with 1 group Bioinformatics
	Serine proteases: An ab initio molecular dynamics study [My Copy] Proteins: Structure, Function, and Genetics, Vol. 37, No. 4. (1999), pp. 611-618. by L. De Santis, P. Carloni posted to md simulation by sangeetha to the group insilicodrug on 2006-12-29 07:07:46 as along with 1 group Bioinformatics
	A molecular mechanics/grid method for evaluation of ligand-receptor interactions [My Copy] Journal of Computational Chemistry, Vol. 16, No. 4. (1995), pp. 454-464. by Brock A. Luty, Zelda R. Wasserman, Pieter F. W. Stouten, Nicholas C. Hodge, Martin Zacharias, Andrew J. Mccammon posted to md simulation by sangeetha to the group insilicodrug on 2006-12-29 07:05:59 as along with 1 person and 1 group papatonyhill Bioinformatics
	A New Method to Estimate Ligand-Receptor Energetics [My Copy] Mol Cell Proteomics, Vol. 1, No. 11. (1 November 2002), pp. 904-910. by Joel R. Bock, David A. Gough posted to energetics ligand-protein by sangeetha to the group insilicodrug on 2006-01-25 07:12:58 as along with 1 group Bioinformatics
	Retrospect and prospect of virtual screening in drug discovery. [My Copy] Curr Top Med Chem, Vol. 2, No. 12. (December 2002), pp. 1305-1320. by H. Xu posted to screening virtual by sangeetha to the group insilicodrug on 2006-01-25 06:56:05 as along with 1 group Bioinformatics
	Validation of automated docking programs for docking and database screening against RNA drug targets. [My Copy] J Med Chem, Vol. 47, No. 17. (12 August 2004), pp. 4188-4201. by C. Detering, G. Varani posted to docking validation by sangeetha to the group insilicodrug on 2006-01-25 06:52:55 as along with 2 people and 1 group P2324548 perrywoo Bioinformatics
	A review of protein-small molecule docking methods. [My Copy] J Comput Aided Mol Des, Vol. 16, No. 3. (March 2002), pp. 151-166. by R. D. Taylor, P. J. Jewsbury, J. W. Essex posted to docking by sangeetha to the group insilicodrug on 2006-01-25 06:52:22 as along with 6 people and 4 groups klexa csrocha oteri marcius schlauchi massivemayhem Structural Biology Group TorVergata Bioinformatics BioinfoCIPF SGU-CIPF
	Virtual Screening of Combinatorial Libraries across a Gene Family: in Search of Inhibitors of Giardia lamblia Guanine Phosphoribosyltransferase [My Copy] Antimicrob. Agents Chemother., Vol. 45, No. 9. (1 September 2001), pp. 2571-2576. by Alex M. Aronov, Narsimha R. Munagala, Irwin D. Kuntz, Ching C. Wang posted to screening virtual by sangeetha to the group insilicodrug on 2006-01-25 06:09:51 as along with 1 group Bioinformatics
	Structure-Based Inhibitor Design by Using Protein Models for the Development of Antiparasitic Agents [My Copy] PNAS, Vol. 90, No. 8. (15 April 1993), pp. 3583-3587. by Cs Ring, E. Sun, Jh Mckerrow, et al.Gk Lee, Pj Rosenthal, Id Kuntz, Fe Cohen posted to based designing drug strcuture by sangeetha to the group insilicodrug on 2006-01-25 05:50:40 as along with 1 group Bioinformatics
	A target site for template-based design of measles virus entry inhibitors [My Copy] PNAS, Vol. 101, No. 15. (13 April 2004), pp. 5628-5633. by Richard K. Plemper, Karl J. Erlandson, Ami S. Lakdawala, et al.Aiming Sun, Andrew Prussia, Jutatip Boonsombat, Esin Aki-Sener, Ismail Yalcin, Ilkay Yildiz, Ozlem Temiz-Arpaci, Betul Tekiner, Dennis C. Liotta, James P. Snyder, Richard W. Compans posted to virtual_screening by sangeetha to the group insilicodrug on 2006-01-25 05:46:52 as along with 1 group Bioinformatics
	Assessment of blind predictions of protein-protein interactions: current status of docking methods. [My Copy] Proteins, Vol. 52, No. 1. (1 July 2003), pp. 51-67. by R. Mendez, R. Leplae, L. De Maria, S. J. Wodak posted to protein-protein interactions by sangeetha to the group insilicodrug on 2007-07-11 10:32:11 as along with 3 people and 1 group bicko ima cjeans Bioinformatics
	JSTOR: Proceedings of the National Academy of Sciences of the United States of America: Vol. 93, No. 12 (Jun. 11, 1996), pp. 5808-5813 [My Copy] posted to no-tag by sangeetha to the group insilicodrug on 2007-02-23 11:14:38 as along with 1 group Bioinformatics
	Similarity searching in files of three-dimensional chemical structures: analysis of the BIOSTER database using two-dimensional fingerprints and molecular field descriptors [My Copy] J Chem Inf Comput Sci, Vol. 40, No. 2. (March 2000), pp. 295-307. by A. Schuffenhauer, V. J. Gillet, P. Willett posted to descriptors by sangeetha to the group insilicodrug on 2006-05-01 11:31:53 as along with 2 people and 1 group JALumley jerome Bioinformatics
	Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures [My Copy] Organic and Biomolecular Chemistry (2004), pp. 3256-3266. by J. Hert, P. Willett, D. J. Wilton, et al.P. Acklin, K. Azzaoui, E. Jacoby, A. Schuffenhauer posted to descriptors by sangeetha to the group insilicodrug on 2006-05-01 10:48:41 as along with 1 person and 1 group jerome Bioinformatics
	A 3D Similarity Method for Scaffold Hopping from Known Drugs or Natural Ligands to New Chemotypes [My Copy] Journal of Medicinal Chemistry, Vol. 47, No. 25. (1 December 2004), pp. 6144-6159. by Jeremy L. Jenkins, Meir Glick, John W. Davies posted to hopping scaffold by sangeetha to the group insilicodrug on 2006-05-01 10:44:10 as along with 3 people and 1 group kaliif ucbcjbm jerome Bioinformatics
	PostDOCK: a structural, empirical approach to scoring protein ligand complexes. [My Copy] J Med Chem, Vol. 48, No. 22. (3 November 2005), pp. 6821-6831. by C. Springer, H. Adalsteinsson, M. M. Young, P. W. Kegelmeyer, D. C. Roe posted to docking by sangeetha to the group insilicodrug on 2006-05-01 08:49:03 as along with 1 person and 1 group nickolay Bioinformatics
	A New Approach to Design Virtual Combinatorial Library with Genetic Algorithm Based on 3D Grid Property [My Copy] posted to no-tag by sangeetha to the group insilicodrug on 2006-02-01 07:58:16 as along with 1 group Bioinformatics
	Applications of SHAPES screening in drug discovery. [My Copy] Comb Chem High Throughput Screen, Vol. 5, No. 8. (December 2002), pp. 583-590. by C. A. Lepre, J. Peng, J. Fejzo, et al.N. Abdul-Manan, J. Pocas, M. Jacobs, X. Xie, J. M. Moore posted to softwares by sangeetha to the group insilicodrug on 2006-01-25 07:33:07 as along with 1 group Bioinformatics
	Scoring functions: a view from the bench. [My Copy] J Comput Aided Mol Des, Vol. 13, No. 2. (March 1999), pp. 99-108. by J. R. Tame posted to scoring by sangeetha to the group insilicodrug on 2006-01-25 07:32:47 as along with 1 group Bioinformatics
	Virtual darwinian drug design: QSAR inverse problem, virtual combinatorial chemistry, and computational screening. [My Copy] Comb Chem High Throughput Screen, Vol. 4, No. 3. (May 2001), pp. 295-310. by J. V. de Julian-Ortiz posted to qsar by sangeetha to the group insilicodrug on 2006-01-25 07:32:11 as along with 1 group Bioinformatics
	A shape- and chemistry-based docking method and its use in the design of HIV-1 protease inhibitors. [My Copy] J Comput Aided Mol Des, Vol. 8, No. 3. (June 1994), pp. 231-242. by R. L. DesJarlais, J. S. Dixon posted to docking by sangeetha to the group insilicodrug on 2006-01-25 07:16:23 as along with 1 group Bioinformatics
	ConsDock: A new program for the consensus analysis of protein-ligand interactions. [My Copy] Proteins, Vol. 47, No. 4. (1 June 2002), pp. 521-533. by N. Paul, D. Rognan posted to softwares by sangeetha to the group insilicodrug on 2006-01-25 07:15:49 as along with 1 person and 1 group BragilMassoud Bioinformatics
	Automated docking and the search for HIV protease inhibitors. [My Copy] SAR QSAR Environ Res, Vol. 8, No. 3-4. (1998), pp. 273-285. by A. J. Olson, D. S. Goodsell posted to docking by sangeetha to the group insilicodrug on 2006-01-25 07:06:56 as along with 1 person and 1 group oteri Bioinformatics
	Protein flexibility in ligand docking and virtual screening to protein kinases. [My Copy] J Mol Biol, Vol. 337, No. 1. (12 March 2004), pp. 209-225. by C. N. Cavasotto, R. A. Abagyan posted to docking by sangeetha to the group insilicodrug on 2006-01-25 07:00:08 as along with 9 people and 2 groups flbarroso oteri BragilMassoud dgruiz yongzhao anwazo daevans kazemi LamBras Bioinformatics TSRI_MGL
	Virtual screening to enrich hit lists from high-throughput screening: a case study on small-molecule inhibitors of angiogenin. [My Copy] Proteins, Vol. 50, No. 1. (1 January 2003), pp. 81-93. by J. L. Jenkins, R. Y. Kao, R. Shapiro posted to docking by sangeetha to the group insilicodrug on 2006-01-24 07:06:46 as along with 1 group Bioinformatics
	Docking molecules by families to increase the diversity of hits in database screens: computational strategy and experimental evaluation. [My Copy] Proteins, Vol. 42, No. 2. (1 February 2001), pp. 279-293. by A. I. Su, D. M. Lorber, G. S. Weston, W. A. Baase, B. W. Matthews, B. K. Shoichet posted to docking by sangeetha to the group insilicodrug on 2006-01-24 07:05:24 as along with 1 group Bioinformatics
	MULTIPROSPECTOR: an algorithm for the prediction of protein-protein interactions by multimeric threading. [My Copy] Proteins, Vol. 49, No. 3. (15 November 2002), pp. 350-364. by L. Lu, H. Lu, J. Skolnick posted to no-tag by sangeetha to the group insilicodrug on 2007-08-29 05:40:39 as along with 6 people and 4 groups ana bicko chad_davis marcius ruvido kgutwin structural_bioinformatics Bioinformatics BioinfoCIPF SGU-CIPF
	Protein Kinases as Targets for Antiparasitic Chemotherapy Drugs [My Copy] Current Drug Targets, Vol. 8, No. 3. (March 2007), pp. 389-398. by Canduri, Fernanda, Cardoso Perez, et al. Patricia, Caceres, A. Rafael, De Azevedo, F. Walter posted to to related malaria by sangeetha to the group insilicodrug on 2007-07-30 05:35:20 as along with 1 group Bioinformatics
	Target-Oriented and Diversity-Oriented Organic Synthesis in Drug Discovery [My Copy] Science, Vol. 287, No. 5460. (17 March 2000), pp. 1964-1969. by Stuart L. Schreiber posted to target-oriented by sangeetha to the group insilicodrug on 2007-07-24 08:03:13 as along with 1 person and 1 group jerome_ucsf_slb Bioinformatics
	Chemical compound navigator: A web-based chem-BLAST, chemical taxonomy-based search engine for browsing compounds [My Copy] posted to virtual_screening by sangeetha to the group insilicodrug on 2007-06-14 10:47:56 as along with 1 group Bioinformatics
	The dose makes the medicine [My Copy] posted to the medicine makes dose by sangeetha to the group insilicodrug on 2007-06-14 10:46:44 as along with 1 group Bioinformatics
	Virtual screening: Are we there yet? [My Copy] posted to virtual_screening by sangeetha to the group insilicodrug on 2007-06-14 10:45:29 as along with 2 people and 4 groups klexa joergkurtwegner Bioinformatics Molecular-Modelling Drug-Design Cheminformatics
	Collection and preparation of molecular databases for virtual screening [My Copy] posted to virtual screening by sangeetha to the group insilicodrug on 2007-06-14 10:43:53 as along with 1 group Bioinformatics
	Computational identification and analysis of G protein-coupled receptor targets [My Copy] posted to identificatio computational by sangeetha to the group insilicodrug on 2007-06-14 10:42:11 as along with 1 group Bioinformatics
	Drug discovery: a historical perspective. [My Copy] Science, Vol. 287, No. 5460. (17 March 2000), pp. 1960-1964. by J. Drews posted to drug discovery by sangeetha to the group insilicodrug on 2007-06-14 09:42:14 as along with 12 people and 4 groups jbesnard Yanno BragilMassoud nachtalp kuhn Borelli joergkurtwegner jdiggans ramensky LamBras srp33 yaredo Bioinformatics Molecular-Modelling Drug-Design Cheminformatics
	DrugBank: a comprehensive resource for in silico drug discovery and exploration. [My Copy] Nucleic acids research In Nucl. Acids Res., Vol. 34, No. Database issue. (1 January 2006), pp. D668-672. by David S. Wishart, Craig Knox, An Chi C. Guo, et al.Savita Shrivastava, Murtaza Hassanali, Paul Stothard, Zhan Chang, Jennifer Woolsey posted to virtual screening by sangeetha to the group insilicodrug on 2007-06-11 10:31:50 as along with 13 people and 1 group guhjy antonkratz sm-rush bertelsen wenhui yaredo dansullivanblk kuhn maryee madhadron jdiggans massivemayhem elvinado Bioinformatics

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