karinaecomp's library 20 articles Export

	Clustering Molecular Dynamics Trajectories: 1. Characterizing the Performance of Different Clustering Algorithms [My Copy] Journal of Chemical Theory and Computation, Vol. 3, No. 6. (1 November 2007), pp. 2312-2334. by Jianyin Shao, Stephen W. Tanner, Nephi Thompson, Thomas E. Cheatham posted to no-tag by karinaecomp on 2009-11-24 14:26:53 as along with 10 people and 3 groups anuragsethi Diego_Prada scampos oteri barry daevans sobolevnrm LamBras allmensch GermanErlenkamp Structural Biology Group TorVergata structural_bioinformatics baker-group
	Data Mining: An Overview from Database Perspective [My Copy] IEEE Transactions on Knowledge and Data Engineering, Vol. 8 (1996), pp. 866-883. by Ming-Syan Chen, Jiawei Hun, Philip S. Yu, Ibm, Watson R. Ctr posted to no-tag by karinaecomp on 2009-11-15 14:23:55 as along with 1 person eddymier
	Introduction to Data Mining [My Copy] (12 May 2005) by Pang-Ning Tan, Michael Steinbach, Vipin Kumar posted to no-tag by karinaecomp on 2009-11-15 14:14:09 as along with 12 people and 1 group almadana negola riivo gstiglic pprett ansobol ChaTo archroad AbnerCYH imrchen cgarboni BelliOS CSBBGraphTheory
	Combining docking and molecular dynamic simulations in drug design. [My Copy] Med Res Rev (6 June 2006) by Hernán Alonso, Andrey A A. Bliznyuk, Jill E E. Gready posted to no-tag by karinaecomp on 2009-11-15 14:08:40 as along with 8 people and 2 groups flbarroso hryk oteri A_Coletta_Thesis aqeel yongzhao kazemi LamBras Structural Biology Group TorVergata TSRI_MGL
	Biopython: freely available Python tools for computational molecular biology and bioinformatics [My Copy] Bioinformatics, Vol. 25, No. 11. (1 June 2009), pp. 1422-1423. by Peter J. A. Cock, Tiago Antao, Jeffrey T. Chang, et al.Brad A. Chapman, Cymon J. Cox, Andrew Dalke, Iddo Friedberg, Thomas Hamelryck, Frank Kauff, Bartek Wilczynski, Michiel J. L. de Hoon posted to no-tag by karinaecomp on 2009-11-13 17:40:40 as along with 38 people and 9 groups eesruiz Geknitics pekrau Sergey_gerbek hwright jfr applebyb klexa rdiaz FabienneGranier thegoose oteri cmzmasek jwm guhjy AlexBateman daforerog ltitodem Thaverkamp sobolevnrm psique dswan neils dullhunk bertelsen Vincent_Rouilly gwallau brianb jorisslob svenrahmann jmeppley VGreiff sjcockell druvus jago kshameer operon svozil Systems_Biology Computational_Systems_Biology Structural Biology Group TorVergata Journal picks baker-group Bioinformatics Software-Architecture OER_Open_Educational_Resources Method_Engineering_Services
	An improved relaxed complex scheme for receptor flexibility in computer-aided drug design. [My Copy] J Comput Aided Mol Des (15 January 2008) by Rommie E. Amaro, Riccardo Baron, J A. McCammon posted to no-tag by karinaecomp on 2009-11-08 19:19:32 as along with 6 people and 2 groups oteri jmccammon rbaron higueruelo kazemi LamBras Structural Biology Group TorVergata McCammon
	Virtual screening with solvation and ligand-induced complementarity [My Copy] Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 171-190. by V. Schnecke, L. A. Kuhn posted to no-tag by karinaecomp on 2009-11-08 13:52:17 as
	A combinatorial approach to protein docking with flexible side chains. [My Copy] J Comput Biol, Vol. 9, No. 4. (2002), pp. 597-612. by E. Althaus, O. Kohlbacher, H. P. Lenhof, P. Müller posted to no-tag by karinaecomp on 2009-11-08 13:40:04 as along with 2 people dfgreen bluvsh1
	Exploring the conformational space of protein side chains using dead-end elimination and the A* algorithm. [My Copy] Proteins, Vol. 33, No. 2. (1 November 1998), pp. 227-239. by A. R. Leach, A. P. Lemon posted to no-tag by karinaecomp on 2009-11-08 13:31:39 as along with 2 people dfgreen karbak
	Docking small ligands in flexible binding sites [My Copy] Journal of Computational Chemistry, Vol. 19, No. 1. (1998), pp. 21-37. by Joannis Apostolakis, Andreas Plückthun, Amedeo Caflisch posted to no-tag by karinaecomp on 2009-11-08 13:21:51 as along with 3 people klexa BragilMassoud schlauchi
	WASA: A Workflow-Based Architecture to Support Scientific Database Applications (Extended Abstract) [My Copy] In Database and Expert Systems Applications (1995), pp. 574-583. by Claudia B. Medeiros, Gottfried Vossen, Mathias Weske posted to no-tag by karinaecomp on 2009-01-30 05:34:44 as along with 2 people annagold carueda
	Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock. [My Copy] Proteins, Vol. 46, No. 1. (1 January 2002), pp. 34-40. by F. Osterberg, G. M. Morris, M. F. Sanner, A. J. Olson, D. S. Goodsell posted to no-tag by karinaecomp on 2009-01-22 20:45:57 as along with 3 people oteri AliceWang kazemi
	Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. [My Copy] J Mol Biol, Vol. 245, No. 1. (6 January 1995), pp. 43-53. by G. Jones, P. Willett, R. C. Glen posted to no-tag by karinaecomp on 2009-01-22 20:25:09 as along with 2 people GermanErlenkamp BragilMassoud
	Data Mining: Practical Machine Learning Tools and Techniques [My Copy] (22 June 2005) by Ian H. Witten, Eibe Frank posted to no-tag by karinaecomp on 2009-01-21 19:47:21 as along with 48 people and 6 groups jo-hannes anib singhsh installe tomjad malibu pinventado alexjfalcao fiacobelli liamtoh333 tijszwinkels ihaque sugarexpletive gstiglic haiyeong imrchen baaic RafaUsyd tmancill druvus dullhunk GJNauta sb-3000 sammydre balicea sdvillal caporaso AbnerCYH brunomelo dejang mdifranc BastianSpanneberg velasco azazello ezralanglois pprett gmonce fernandohbc scorreia_pro csacca jdu bobychan napvasconcelos soramame_0518 abellogin quianominorleo eegilbert akastrin mlkd WAND AI biomedical-nlp RiSE CSBBGraphTheory
	ZINC--a free database of commercially available compounds for virtual screening. [My Copy] Journal of chemical information and modeling, Vol. 45, No. 1. (b 2005), pp. 177-182. by John J. Irwin, Brian K. Shoichet posted to no-tag by karinaecomp on 2009-01-21 18:56:13 as along with 3 people and 3 groups ubcg08l beapen jerome_ucsf_slb Atopic_and_Seborrhoeic_Dermatitis Skin_Deep Applied_Bimatics
	The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme. [My Copy] Biopolymers, Vol. 68, No. 1. (January 2003), pp. 47-62. by J. H. Lin, A. L. Perryman, J. R. Schames, J. A. McCammon posted to no-tag by karinaecomp on 2009-01-21 17:51:12 as along with 5 people and 3 groups barry blackbart kazemi sobolevnrm LamBras structural_bioinformatics Bioinformatics baker-group
	Computer Simulation of Molecular Dynamics: Methodology, Applications, and Perspectives in Chemistry [My Copy] Angewandte Chemie International Edition in English, Vol. 29, No. 9. (1990), pp. 992-1023. by Wilfred F. van Gunsteren, Herman J. C. Berendsen posted to no-tag by karinaecomp on 2009-01-21 17:34:15 as along with 2 people flbarroso dfgreen
	FLIPDock: Docking flexible ligands into flexible receptors [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 68, No. 3. (23 May 2007), pp. 726-737. by Yong Zhao, Michel F. Sanner posted to no-tag by karinaecomp on 2009-01-21 16:56:24 as along with 7 people and 1 group npt11tpn fl BragilMassoud yongzhao kazemi somak LamBras TSRI_MGL
	Accommodating protein flexibility in computational drug design. [My Copy] Mol Pharmacol, Vol. 57, No. 2. (February 2000), pp. 213-218. by H. A. Carlson, J. A. McCammon posted to no-tag by karinaecomp on 2009-01-21 16:48:43 as along with 4 people apaydin lna aqeel blackbart
	Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function [My Copy] Journal of Computational Chemistry, Vol. 19, No. 14. (6 January 1998), pp. 1639-1662. by Garrett M. Morris, David S. Goodsell, Robert S. Halliday, et al.Ruth Huey, William E. Hart, Richard K. Belew, Arthur J. Olson posted to no-tag by karinaecomp on 2009-01-21 15:56:05 as along with 23 people and 2 groups trishul nickolay npt11tpn jamalex joule lna Lombardo_7 oteri A_Coletta_Thesis arlam dgruiz nachtalp P2324548 yongzhao peprovy tovrstra papatonyhill schlauchi carlescorbi middledomain LamBras andreramme UVA_mag_res Chang group TSRI_MGL

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