Tag autodock [22 articles] Export

Recent papers classified by the tag autodock.

	Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock [My Copy] Journal of Cheminformatics, Vol. 1, No. 1. (2009), 15. by Zsolt Bikadi, Eszter Hazai posted to pm6 dockingserver docking autodock by bikadi on 2009-09-17 17:02:57 as along with 1 person zfekete
	Carborane Clusters in Computational Drug Design: A Comparative Docking Evaluation Using AutoDock, FlexX, Glide, and Surflex [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 6. (22 June 2009), pp. 1581-1589. by Rohit Tiwari, Kiran Mahasenan, Ryan Pavlovicz, Chenglong Li, Werner Tjarks posted to antifolates atoms autodock binding boron cancer carbon closo- efficient energies flexx glide hdhfr lack nido-carboranyl parameter replacement simple strategies surflex by zimbo1 on 2009-07-23 12:54:52 as along with 1 person reyez
	AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2009), NA. by Oleg Trott, Arthur J. Olson posted to 2009 autodock autodock-vina docking multithreading scoring by klexa on 2009-06-29 15:28:27 as along with 4 people and 1 group robert A_Coletta_Thesis oteri sobolevnrm Structural Biology Group TorVergata
	FINDSITE: a combined evolution/structure-based approach to protein function prediction [My Copy] Brief Bioinform, Vol. 10, No. 4. (1 July 2009), pp. 378-391. by Jeffrey Skolnick, Michal Brylinski posted to autodock docking function structure by dimka on 2009-04-23 08:05:27 as along with 8 people and 1 group davidmam jperkins reyez TRHvidsten iaolier gwallau operon idoerg Orengo Group Journal Picks
	A semiempirical free energy force field with charge-based desolvation [My Copy] Journal of Computational Chemistry, Vol. 28, No. 6. (1 February 2007), pp. 1145-1152. by Ruth Huey, Garrett M. Morris, Arthur J. Olson, David S. Goodsell posted to autodock bioinformatics docking viscloudock by joule on 2009-04-21 10:24:34 as along with 6 people and 1 group trishul nickolay oteri IrinaMoreira BragilMassoud carlescorbi Structural Biology Group TorVergata
	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 autodock bioinformatics docking viscloudock by joule on 2009-04-21 10:23:51 as along with 23 people and 2 groups trishul nickolay npt11tpn jamalex lna Lombardo_7 karinaecomp oteri A_Coletta_Thesis arlam dgruiz nachtalp P2324548 yongzhao peprovy tovrstra papatonyhill schlauchi carlescorbi middledomain LamBras andreramme UVA_mag_res Chang group TSRI_MGL
	Automated docking of substrates to proteins by simulated annealing. [My Copy] Proteins, Vol. 8, No. 3. (1990), pp. 195-202. by D. S. Goodsell, A. J. Olson posted to autodock bioinformatics docking simulation viscloudock by joule on 2009-04-21 10:23:11 as along with 4 people BragilMassoud apostola robert schlauchi
	Computational Structure Activity Relationship Studies on the CD1d/Glycolipid/TCR Complex Using AMBER and AUTODOCK [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Janos Nadas, Chenglong Li, Peng G. Wang posted to amber autodock sar structure-activity-relationship by carlosjavierna on 2009-02-19 14:37:32 as
	Data Management System for Distributed Virtual Screening [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 1. (26 January 2009), pp. 145-152. by Ting Zhou, Amedeo Caflisch posted to autodock datamanagement docking pose system zinc by zimbo1 on 2009-02-02 14:02:03 as along with 1 person sschurer
	DOVIS: an implementation for high-throughput virtual screening using AutoDock [My Copy] BMC Bioinformatics, Vol. 9, No. 1. (2008) by Shuxing Zhang, Kamal Kumar, Xiaohui Jiang, Anders Wallqvist, Jaques Reifman posted to autodock bhsai bioanalysis bioinformatics docking graphical gui interface kamal kumar by kamalkumar on 2008-03-12 18:46:55 as along with 2 people and 1 group rsood neils MuraLab
	Docking and scoring of metallo-beta-lactamases inhibitors. [My Copy] J Comput Aided Mol Des, Vol. 18, No. 4. (April 2004), pp. 287-302. by L. Olsen, I. Pettersson, L. Hemmingsen, H. W. Adolph, F. S. Jørgensen posted to autodock docking by dimka on 2008-02-02 03:48:44 as
	Automated docking of flexible ligands: applications of AutoDock. [My Copy] J Mol Recognit, Vol. 9, No. 1. (b 1996), pp. 1-5. by D. S. Goodsell, G. M. Morris, A. J. Olson posted to autodock docking by apostola on 2007-12-03 20:06:54 as along with 2 people oteri bicko
	Docking into knowledge-based potential fields: a comparative evaluation of DrugScore. [My Copy] J Med Chem, Vol. 45, No. 10. (9 May 2002), pp. 1967-1970. by C. A. Sotriffer, H. Gohlke, G. Klebe posted to autodock drugscore by dgruiz on 2007-08-22 18:52:18 as along with 2 people AliceWang lillekatt
	Comparative Evaluation of 11 Scoring Functions for Molecular Docking [My Copy] Journal of Medicinal Chemistry, Vol. 46, No. 12. (1 June 2003), pp. 2287-2303. by Renxiao Wang, Yipin Lu, Shaomeng Wang posted to autodock docking-general docking-tools-evaluation by dgruiz on 2007-08-22 18:38:05 as along with 4 people nickolay P2324548 peprovy schlauchi
	Lennard-Jones Potential and Dummy Atom Settings to Overcome the AUTODOCK Limitation in Treating Flexible Ring Systems [My Copy] J. Chem. Inf. Model. (22 June 2007) by S. Forli, M. Botta posted to autodock docking by peprovy on 2007-06-28 10:35:23 as
	A Novel Search Engine for Virtual Screening of Very Large Databases [My Copy] J. Chem. Inf. Model., Vol. 46, No. 2. (27 March 2006), pp. 836-843. by D. Vidal, M. Thormann, M. Pons posted to algorithm autodock evolutionary by peprovy on 2007-05-15 12:08:30 as
	Alternative to Consensus Scoring-A New Approach Toward the Qualitative Combination of Docking Algorithms. [My Copy] J Chem Inf Model (11 May 2007) by Antje Wolf, Marc Zimmermann, Martin Hofmann-Apitius posted to autodock consensus docking flexx by BragilMassoud on 2007-05-13 16:47:26 as
	SODOCK: Swarm optimization for highly flexible protein-ligand docking. [My Copy] J Comput Chem, Vol. 28, No. 2. (30 January 2007), pp. 612-623. by H. M. Chen, B. F. Liu, H. L. Huang, S. F. Hwang, S. Y. Ho posted to pl-docking autodock by dgruiz on 2007-01-09 10:03:56 as along with 4 people and 1 group npt11tpn oteri BragilMassoud yongzhao TSRI_MGL
	Protein-ligand docking: Current status and future challenges [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 65, No. 1. (21 July 2006), pp. 15-26. by Sérgio F. Sousa, Pedro A. Fernandes, Maria J. Ramos posted to autodock docking by yongzhao on 2006-11-07 19:07:30 as along with 11 people and 2 groups rabio flbarroso ramensky BragilMassoud peprovy kazemi sergio_fms carlescorbi robert boris_aguilar qaiser_fatmi TSRI_MGL Chang group
	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
	Critical assessment of the automated AutoDock as a new docking tool for virtual screening. [My Copy] Proteins (20 September 2006) by Hwangseo Park, Jinuk Lee, Sangyoub Lee posted to autodock docking-tools-evaluation by dgruiz on 2006-09-27 10:15:57 as along with 3 people and 1 group BragilMassoud yongzhao insilico TSRI_MGL
	Flexible ligand docking using evolutionary algorithms: investigating the effects of variation operators and local search hybrids [My Copy] Biosystems, Vol. 72, No. 1-2. (November 2003), pp. 57-73. by Rene Thomsen posted to autodock genetic-algorithm by dgruiz on 2005-01-13 13:24:20 as along with 2 people and 1 group betainverse yongzhao TSRI_MGL

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docking	21
bioinformatics	5
algorithm	3
screening	3
viscloudock	3
binding	2
docking-tools-evaluation	2
flexx	2
genetic	2
genetic-algorithm	2
scoring	2
solvation	2
2009	1
3dqsar	1
a3	1
affinity	1
amber	1
antifolates	1
atoms	1
autodock-vina	1
bhsai	1
bioanalysis	1
boron	1
cancer	1
carbon	1
catalyst	1
closo-	1
consensus	1
datamanagement	1
distributedcomputing	1
docking-general	1
dockingserver	1
drug-delivery	1
drugscore	1
efficient	1
energies	1
energy	1
energyfunctions	1
evolutionary	1
forcefield	1
function	1
geometry	1
gh1	1
gibbs	1
glide	1
glycolipids	1
glycoproteins	1
graphical	1
gui	1
hdhfr	1
hpc	1
interface	1
kamal	1
kumar	1
lack	1
multithreading	1
nido-carboranyl	1
opensource	1
parameter	1
pl-docking	1
pm6	1
polar	1
pose	1
protein-ligand	1
replacement	1
sar	1
screen	1
simple	1
simulation	1
software	1
strategies	1
structure	1
structure-activity-relationship	1
surflex	1
system	1
virtualscreening	1
zinc	1

Tag autodock [22 articles] Export

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