npt11tpn's file-import-09-08-31 [at least 200 articles] Export

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	ZINC - A Free Database of Commercially Available Compounds for Virtual Screening [My Copy] Journal of Chemical Information and Modeling, Vol. 45, No. 1. (2005), 177-182. by John Irwin, Brian Shoichet posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	A Yule-Simon process with memory [My Copy] Europhysics Letters, Vol. 76 (2006) by Ciro Cattuto, Vittorio Loreto, Vito Servedio posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Where Are the GaPs? A Rational Approach to Monomer Acquisition and Selection‚Ä† [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 40, No. 5. (2000), 1262-1269. by Andrew Leach, Darren Green, Michael Hann, Duncan Judd, Andrew Good posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	What are the limits to the size of effective dynamic combinatorial libraries? [My Copy] Org Lett, Vol. 6, No. 11. (2004), 1825-7. by Peter T. Corbett, Sijbren Otto, Jeremy K. M. Sanders posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	What are batteries, fuel cells, and supercapacitors? [My Copy] Chem. Rev, Vol. 104, No. 10. (2004), 4245-4270. by M. Winter, R. J. Brodd posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Visual Group Theory [My Copy] (2009) by Nathan Carter posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Virtual Screening Using Protein-íLigand Docking: Avoiding Artificial Enrichment [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 44, No. 3. (2004), 793-806. by Marcel Verdonk, Valerio Berdini, Michael Hartshorn, et al.Wijnand Mooij, Christopher Murray, Richard Taylor, Paul Watson posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Virtual screening of novel noncovalent inhibitors for SARS-CoV 3C-like proteinase [My Copy] J Chem Inf Model, Vol. 45, No. 1. (2005), 10-17. by Zhenming Liu, Changkang Huang, Keqiang Fan, et al.Ping Wei, Hao Chen, Shiyong Liu, Jianfeng Pei, Lei Shi, Bo Li, Kun Yang, Ying Liu, Luhua Lai posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Virtual screening of chemical libraries [My Copy] Nature, Vol. 432, No. 7019. (2004), 862-865. by Brian Shoichet posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Virtual ligand screening: strategies, perspectives and limitations [My Copy] Drug Discov Today, Vol. 11, No. 13-14. (2006), 580-94. by Gerhard Klebe posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide [My Copy] Journal of Computer-Aided Molecular Design, Vol. 23, No. 8. (2009), 527-539. by Sameer Kawatkar, Hongming Wang, Ryszard Czerminski, Diane Joseph-Mccarthy posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	"Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits [My Copy] Journal of Medicinal Chemistry, Vol. 51, No. 8. (2008), 2491, 2481-2491, 2481. by T. J. Crisman, A. Bender, M. Milik, et al.J. L. Jenkins, J. Scheiber, S. C. Sukuru, J. Fejzo, U. Hommel, J. W. Davies, M. Glick posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery [My Copy] J Chem Inf Model, Vol. 47, No. 2. (2007), 342-53. by Tobias Fink, Jean-Louis Reymond posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	The value of improving the productivity of the drug development process: faster times and better decisions [My Copy] Pharmacoeconomics, Vol. 20 Suppl 3 (2002), 1-10. by J. A. Dimasi posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	A validation study on the practical use of automated de novo design [My Copy] Journal of Computer-Aided Molecular Design, Vol. 16, No. 7. (2002), 459-78. by M. Stahl, N. P. Todorov, T. James, H. Mauser, H. J. Boehm, P. M. Dean posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Validation and Use of the MM-PBSA Approach for Drug Discovery [My Copy] Journal of Medicinal Chemistry, Vol. 48, No. 12. (2005), 4040-4048. by Bernd Kuhn, Paul Gerber, Tanja Schulz-Gasch, Martin Stahl posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Usefulness and limitations of normal mode analysis in modeling dynamics of biomolecular complexes [My Copy] Structure, Vol. 13, No. 3. (2005), 373-80. by Jianpeng Ma posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Use of the multiple copy simultaneous search (MCSS) method to design a new class of picornavirus capsid binding drugs [My Copy] Proteins, Vol. 29, No. 1. (1997), 32-58. by D. Joseph-Mccarthy, J. M. Hogle, M. Karplus posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	The use of ligand-based de novo design for scaffold hopping and sidechain optimization: Two case studies [My Copy] Bioorganic & Medicinal Chemistry, Vol. 16, No. 1. (2008), 427, 422-427, 422. by Miklos Feher, Yinghong Gao, Christian Baber, William Shirley, John Saunders posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Unveiling the full potential of flexible receptor docking using multiple crystallographic structures [My Copy] J Med Chem, Vol. 48, No. 13. (2005), 4432-43. by Xavier Barril, S. David Morley posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	The unfoldomics decade: an update on intrinsically disordered proteins [My Copy] BMC Genomics, Vol. 9, No. Suppl 2. (2008), S1. by A. Dunker, C. Oldfield, J. Meng, et al.P. Romero, J. Yang, J. Chen, V. Vacic, Z. Obradovic, V. Uversky posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	An Ultrahigh Resolution Structure of TEM-1 Œ≤-Lactamase Suggests a Role for Glu166 as the General Base in Acylation [My Copy] Journal of the American Chemical Society, Vol. 124, No. 19. (2002), 5333-5340. by George Minasov, Xiaojun Wang, Brian Shoichet posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Ultrafast de novo docking combining pharmacophores and combinatorics [My Copy] J Comput Aided Mol Des (2007) by Marcus Gastreich, Markus Lilienthal, Hans Briem, Holger Claussen posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	TrixX: structure-based molecule indexing for large-scale virtual screening in sublinear time [My Copy] J Comput Aided Mol Des (2007) by Ingo Schellhammer, Matthias Rarey posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Transport in proton conductors for fuel-cell applications: Simulations, elementary reactions, and phenomenology [My Copy] Chem. Rev, Vol. 104, No. 10. (2004), 4637-4678. by K. D. Kreuer, S. J. Paddison, E. Spohr, M. Schuster posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:36 as
	Transforming fragments into candidates: small becomes big in medicinal chemistry [My Copy] Drug Discovery Today, Vol. 14, No. 13-14. (2009), 646, 630-646, 630. by Gerdien de Kloe, David Bailey, Rob Leurs, Iwan de Esch posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Toward understanding the structural basis of cyclin-dependent kinase 6 specific inhibition [My Copy] J Med Chem, Vol. 49, No. 13. (2006), 3826-31. by Heshu Lu, Ursula Schulze-Gahmen posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Toward intelligent molecular machines: directed motions of biological and artificial molecules and assemblies [My Copy] Chem Rev, Vol. 105, No. 4. (2005), 1377-400. by Kazushi Kinbara, Takuzo Aida posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Topological Fingerprints [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 11. (2008), 2097-2107. by Alexander Boãàcker posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Toward a Pharmacophore for Kinase Frequent Hitters [My Copy] Journal of Medicinal Chemistry, Vol. 47, No. 23. (2004), 5616-5619. by Alex Aronov, Mark Murcko posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Time to Change Our Thinking: Dismantling the Silo Model of Digital Scholarship [My Copy] Ariadne, No. 58. (2009) by Stephen Nichols posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Three-dimensional battery architectures [My Copy] Chem. Rev, Vol. 104, No. 10. (2004), 4463-4492. by J. W. Long, B. Dunn, D. R. Rolison, H. S. White, Others posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Thermal Field Theory [My Copy] by Michel Le Bellac posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Theory and simulation: pushing the limits [My Copy] Current opinion in structural biology, Vol. 15, No. 2. (2005), 135-136. by J. A. Mccammon, R. C. Wade posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Theory and applications of NMR-based screening in pharmaceutical research [My Copy] Chem Rev, Vol. 104, No. 8. (2004), 3641-76. by Christopher A. Lepre, Jonathan M. Moore, Jeffrey W. Peng posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Theoretical Exploration of Ultrafast Dynamics in Atomic Clusters: Analysis and Control‚Ä† [My Copy] Chem. Rev, Vol. 105, No. 1. (2005), 11-66. by V. Bonacic-Koutecky, R. Mitric posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Theoretical derivation of heuristic molecular lipophilicity potential: a quantum chemical description for molecular solvation [My Copy] J Chem Inf Model, Vol. 45, No. 2. (2005), 347-53. by Qishi Du, Peng-Jun Liu, Paul G. Mezey posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Tetrathiafulvalenes, oligoacenenes, and their buckminsterfullerene derivatives: the brick and mortar of organic electronics [My Copy] Chem Rev, Vol. 104, No. 11. (2004), 4891-946. by Michael Bendikov, Fred Wudl, Dmitrii F. Perepichka posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	TETHERING: Fragment-Based Drug Discovery [My Copy] Annual Review of Biophysics and Biomolecular Structure, Vol. 33, No. 1. (2004), 199-223. by Daniel Erlanson, James Wells, Andrew Braisted posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Testing a flexible-receptor docking algorithm in a model binding site [My Copy] J Mol Biol, Vol. 337, No. 5. (2004), 1161-82. by Binqing Q. Wei, Larry H. Weaver, Anna M. Ferrari, Brian W. Matthews, Brian K. Shoichet posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:35 as
	Target flexibility in molecular recognition [My Copy] Biochim Biophys Acta, Vol. 1754, No. 1-2. (2005), 221-4. by J. Andrew Mccammon posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:34 as
	Tagged Fragment Method for Evolutionary Structure-Based De Novo Lead Generation and Optimization [My Copy] J. Med. Chem, Vol. 50, No. 22. (2007), 5392-5402. by Q. Liu, B. Masek, K. Smith, J. Smith posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:34 as
	A systems approach to prion disease [My Copy] Molecular systems biology, Vol. 5 (2009) by D. Hwang, I. Y. Lee, H. Yoo, et al.N. Gehlenborg, J. H. Cho, B. Petritis, D. Baxter, R. Pitstick, R. Young, D. Spicer, N. D. Price, J. G. Hohmann, S. J. Dearmond, G. A. Carlson, L. E. Hood posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:34 as
	Synergy and Antagonism of Promiscuous Inhibition in Multiple-Compound Mixtures [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 7. (2006), 2151-2154. by Brian Feng, Brian Shoichet posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:34 as
	Symmetry: A Journey into the Patterns of Nature [My Copy] (2009) by Marcus Du Sautoy posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:34 as
	Surveys in Number Theory [My Copy] (2008) by G. Andrews, B. C. Berndt, Y. Lee, et al.J. Sohn, D. M. Bressoud, H. M. Farkas, M. B. Nathanson, K. Ono, M. Waldschmidt, Krishnaswami Alladi posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:34 as
	A survey of named entity recognition and classification [My Copy] Linguisticae Investigationes, Vol. 30, No. 1. (2007), 26, 3-26, 3. by Nadeau, David, Sekine, Satoshi posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:34 as
	A survey of available tools and web servers for analysis of protein-protein interactions and interfaces [My Copy] Briefings in Bioinformatics, Vol. 10, No. 3. (2008), 217-232. by N. Tuncbag, G. Kar, O. Keskin, A. Gursoy, R. Nussinov posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:34 as
	Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine [My Copy] J. Med. Chem, Vol. 46, No. 4. (2003), 499-511. by A. Jain posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:34 as
	Surflex-Dock 2.1: robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search [My Copy] Journal of Computer-Aided Molecular Design, Vol. 21, No. 5. (2007), 281-306. by A. N. Jain posted to file-import-09-08-31 by npt11tpn on 2009-08-31 01:15:34 as

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npt11tpn's file-import-09-08-31 [at least 200 articles] Export

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