jbesnard's library 34 articles Export

	Protein-ligand interaction prediction: an improved chemogenomics approach [My Copy] Bioinformatics, Vol. 24, No. 19. (1 October 2008), pp. 2149-2156. by Laurent Jacob, Jean-Philippe Vert posted to insilico_design drug_design by jbesnard on 2009-11-19 09:58:31 as along with 7 people iaolier richardbickerton nilanjanroy ucbcjbm reyez GeeSharpMinor jxl
	Mechanisms of drug combinations: interaction and network perspectives [My Copy] Nat Rev Drug Discov, Vol. 8, No. 2. (01 February 2009), pp. 111-128. by Jia Jia, Feng Zhu, Xiaohua Ma, Zhiwei W. Cao, Yixue X. Li, Yu Z. Chen posted to polypharmacology interaction_networks by jbesnard on 2009-11-19 09:52:39 as along with 9 people ipark-kaist bertelsen abhishek_tiwari richardbickerton mingzhi wenhui nicklynch reyez Tingting
	A network view of disease and compound screening. [My Copy] Nature reviews. Drug discovery, Vol. 8, No. 4. (April 2009), pp. 286-295. by Eric E. Schadt, Stephen H. Friend, David A. Shaywitz posted to interaction_networks by jbesnard on 2009-11-19 09:52:19 as along with 11 people abhishek_tiwari pablocarb richardbickerton sameersoi mingzhi oelemento ptrobajo phoenixzxl reyez guhjy sschurer
	Navigating structure-activity landscapes. [My Copy] Drug discovery today, Vol. 14, No. 13-14. (04 July 2009), pp. 698-705. by Jürgen Bajorath, Lisa Peltason, Mathias Wawer, Rajarshi Guha, Michael S. Lajiness, John H. Van Drie posted to no-tag by jbesnard on 2009-11-19 09:51:50 as along with 5 people Yanno abhishek_tiwari richardbickerton jerome sschurer
	Blood–brain barrier permeability considerations for CNS-targeted compound library design [My Copy] Current Opinion in Chemical Biology, Vol. 12, No. 3. (June 2008), pp. 318-323. by Stephen A. Hitchcock posted to drug_design by jbesnard on 2009-11-03 11:14:32 as
	Structure of Protein Interaction Networks and Their Implications on Drug Design [My Copy] PLoS Comput Biol, Vol. 5, No. 10. (30 October 2009), e1000550. by Takeshi Hase, Hiroshi Tanaka, Yasuhiro Suzuki, So Nakagawa, Hiroaki Kitano posted to interaction_networks by jbesnard on 2009-10-30 10:41:20 as along with 9 people and 1 group kiekyon nickolay kshameer zwang phoenixzxl venancio CorinYeats ess30 poirel Orengo Group Journal Picks
	Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Josef Scheiber, Bin Chen, Mariusz Milik, et al.Sai C. Sukuru, Andreas Bender, Dmitri Mikhailov, Steven Whitebread, Jacques Hamon, Kamal Azzaoui, Laszlo Urban, Meir Glick, John W. Davies, Jeremy L. Jenkins posted to polypharmacology by jbesnard on 2009-02-19 13:10:45 as along with 4 people zimbo1 sschurer jerome reyez
	How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 1. (26 January 2009), pp. 108-119. by Andreas Bender, Jeremy L. Jenkins, Josef Scheiber, Sai C. Sukuru, Meir Glick, John W. Davies posted to insilico_design by jbesnard on 2009-01-30 09:28:09 as along with 7 people ucbcjbm JALumley carlosjavierna zimbo1 sschurer sameguy jxl
	Dual- and Triple-Acting Agents for Treating Core and Co-morbid Symptoms of Major Depression: Novel Concepts, New Drugs [My Copy] Neurotherapeutics, Vol. 6, No. 1. (January 2009), pp. 53-77. by M. Millan posted to multi_target polypharmacology by jbesnard on 2009-01-09 15:51:18 as along with 1 person psique
	Discovery of Multitarget Inhibitors by Combining Molecular Docking with Common Pharmacophore Matching [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Dengguo Wei, Xiaolu Jiang, Lu Zhou, et al.Jing Chen, Zheng Chen, Chong He, Kun Yang, Ying Liu, Jianfeng Pei, Luhua Lai posted to multi_target by jbesnard on 2008-12-08 10:40:56 as along with 1 person sschurer
	In Silico Functional Profiling of Small Molecules and Its Applications [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Tomohiro Sato, Yo Matsuo, Teruki Honma, Shigeyuki Yokoyama posted to insilico_design molecule_representation by jbesnard on 2008-12-08 10:34:03 as along with 2 people reyez sschurer
	Dual Inhibitors of Matrix Metalloproteinases and Carbonic Anhydrases: Iminodiacetyl-Based Hydroxamate−Benzenesulfonamide Conjugates [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Sérgio M. Marques, Elisa Nuti, Armando Rossello, et al.Claudiu T. Supuran, Tiziano Tuccinardi, Adriano Martinelli, Amélia M. Santos posted to polypharmacology by jbesnard on 2008-12-08 10:31:43 as
	Small molecules that reactivate p53 in renal cell carcinoma reveal a NF-kappaB-dependent mechanism of p53 suppression in tumors. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 102, No. 48. (29 November 2005), pp. 17448-17453. by K. V. Gurova, J. E. Hill, C. Guo, et al.A. Prokvolit, L. G. Burdelya, E. Samoylova, A. V. Khodyakova, R. Ganapathi, M. Ganapathi, N. D. Tararova, D. Bosykh, D. Lvovskiy, T. R. Webb, G. R. Stark, A. V. Gudkov posted to multi_target by jbesnard on 2008-12-08 10:05:53 as
	Double-edged swords as cancer therapeutics: simultaneously targeting p53 and NF-kappaB pathways. [My Copy] Nature reviews. Drug discovery, Vol. 7, No. 12. (01 December 2008), pp. 1031-1040. by Anwesha Dey, Vinay Tergaonkar, David P. Lane posted to multi_target network by jbesnard on 2008-12-05 19:40:40 as along with 2 people ipark-kaist guhjy
	Strategies and tactics for optimizing the Hit-to-Lead process and beyond—A computational chemistry perspective [My Copy] Drug Discovery Today, Vol. 13, No. 3-4. (February 2008), pp. 99-109. by C. Manly, J. Chandrasekhar, J. Ochterski, J. Hammer, B. Warfield posted to drug_design insilico_design by jbesnard on 2008-12-05 14:03:01 as
	Finding multiple target optimal intervention in disease-related molecular network [My Copy] Mol Syst Biol, Vol. 4 (4 November 2008) by Kun Yang, Hongjun Bai, Qi Ouyang, Luhua Lai, Chao Tang posted to network by jbesnard on 2008-12-05 11:27:06 as along with 4 people agomez sg45653 sjung phoenixzxl
	Ontologies in drug discovery [My Copy] Drug Discovery Today: Technologies, Vol. 2, No. 3. (FebruaryMarch 2005), pp. 235-240. by S. Gardner posted to drug_design by jbesnard on 2008-12-05 11:18:04 as along with 1 person nicklynch
	Application of InChI to curate, index, and query 3-D structures [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 60, No. 1. (2005), pp. 1-4. by M. D. Prasanna, Jiri Vondrasek, Alexander Wlodawer, T. N. Bhat posted to drug_design by jbesnard on 2008-12-05 10:56:33 as
	Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compounds. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 2. (r 2004), pp. 643-651. by N. Baurin, R. Baker, C. Richardson, et al.I. Chen, N. Foloppe, A. Potter, A. Jordan, S. Roughley, M. Parratt, P. Greaney, D. Morley, R. E. Hubbard posted to drug_like by jbesnard on 2008-12-05 10:51:46 as along with 1 person christian_ry
	Chemical compound navigator: A web-based chem-BLAST, chemical taxonomy-based search engine for browsing compounds [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 63, No. 4. (2006), pp. 907-917. by M. D. Prasanna, Jiri Vondrasek, Alexander Wlodawer, H. Rodriguez, T. N. Bhat posted to molecule_representation by jbesnard on 2008-12-05 10:47:46 as
	Drug discovery: a historical perspective. [My Copy] Science, Vol. 287, No. 5460. (17 March 2000), pp. 1960-1964. by J. Drews posted to drug_design by jbesnard on 2008-12-05 10:45:00 as along with 12 people and 5 groups Yanno BragilMassoud nachtalp kuhn Borelli sangeetha joergkurtwegner jdiggans ramensky LamBras srp33 yaredo Bioinformatics Molecular-Modelling Drug-Design Cheminformatics insilicodrug
	Ligand binding efficiency: trends, physical basis, and implications. [My Copy] Journal of medicinal chemistry, Vol. 51, No. 8. (24 April 2008), pp. 2432-2438. by C. H. Reynolds, B. A. Tounge, S. D. Bembenek posted to drug_like insilico_design by jbesnard on 2008-12-05 09:58:05 as along with 2 people JALumley bicko
	Similarity Searching and Scaffold Hopping in Synthetically Accessible Combinatorial Chemistry Spaces. [My Copy] Journal of medicinal chemistry (2 April 2008) by Markus Boehm, Tong-Ying Y. Wu, Holger Claussen, Christian Lemmen posted to insilico_design molecule_representation by jbesnard on 2008-12-05 09:54:54 as along with 1 person kevinmshort
	Mini-fingerprints Detect Similar Activity of Receptor Ligands Previously Recognized Only by Three-Dimensional Pharmacophore-Based Methods [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 41, No. 2. (1 March 2001), pp. 394-401. by Ling Xue, Florence L. Stahura, Jeffrey W. Godden, Jurgen Bajorath posted to molecule_representation by jbesnard on 2008-12-05 09:47:09 as
	Similarity Search Profiling Reveals Effects of Fingerprint Scaling in Virtual Screening [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 44, No. 6. (1 November 2004), pp. 2032-2039. by Ling Xue, Florence L. Stahura, Jurgen Bajorath posted to molecule_representation by jbesnard on 2008-12-05 09:45:20 as
	Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 43, No. 4. (1 July 2003), pp. 1218-1225. by Ling Xue, Jeffrey W. Godden, Florence L. Stahura, Jurgen Bajorath posted to molecule_representation by jbesnard on 2008-12-05 09:44:11 as
	BLASTing small molecules--statistics and extreme statistics of chemical similarity scores [My Copy] Bioinformatics, Vol. 24, No. 13. (1 July 2008), pp. i357-365. by Pierre Baldi, Ryan W. Benz posted to molecule_representation by jbesnard on 2008-12-05 09:37:58 as along with 4 people and 1 group babakap Yoyek dullhunk girschick TNT
	Virtual Compound Libraries: A New Approach to Decision Making in Molecular Discovery Research [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 38, No. 6. (1 November 1998), pp. 1010-1023. by Richard D. Cramer, David E. Patterson, Robert D. Clark, Farhad Soltanshahi, Michael S. Lawless posted to molecule_representation by jbesnard on 2008-12-04 13:53:32 as
	On the Representation of Combinatorial Libraries [My Copy] Journal of Combinatorial Chemistry, Vol. 6, No. 1. (1 January 2004), pp. 1-11. by Derek Maclean, Eric J. Martin posted to molecule_representation by jbesnard on 2008-12-04 13:52:17 as
	New QSAR Methods Applied to Structure−Activity Mapping and Combinatorial Chemistry [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 39, No. 2. (1 March 1999), pp. 236-242. by Frank R. Burden, David A. Winkler posted to molecule_representation by jbesnard on 2008-12-04 13:47:54 as
	On Characterization of Chemical Structure [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 37, No. 4. (1 July 1997), pp. 672-687. by Milan Randic posted to molecule_representation by jbesnard on 2008-12-04 13:45:49 as
	Characterization of molecular branching [My Copy] Journal of the American Chemical Society, Vol. 97, No. 23. (1 November 1975), pp. 6609-6615. by Milan Randic posted to molecule_representation by jbesnard on 2008-12-04 13:43:45 as
	Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits. [My Copy] Drug Discov Today, Vol. 11, No. 3-4. (February 2006), pp. 175-180. by T. Wunberg, M. Hendrix, A. Hillisch, et al.M. Lobell, H. Meier, C. Schmeck, H. Wild, B. Hinzen posted to drug_like by jbesnard on 2008-12-02 14:08:37 as along with 3 people anwazo Yanno nicklynch
	Concept of Combinatorial De Novo Design of Drug-like Molecules by Particle Swarm Optimization [My Copy] Chemical Biology & Drug Design, Vol. 72, No. 1. (2008), pp. 16-26. by Markus Hartenfeller, Ewgenij Proschak, Andreas Schuller, Gisbert Schneider posted to drug_like insilico_design molecule_representation by jbesnard on 2008-12-02 14:05:20 as along with 2 people massivemayhem reyez