Tag pharmacophore [63 articles] Export Sort

Recent papers classified by the tag pharmacophore.

Hide details

	High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Simone Sciabola, Robert V. Stanton, James E. Mills, et al.Maria M. Flocco, Massimo Baroni, Gabriele Cruciani, Francesca Perruccio, Jonathan S. Mason posted to structural sites shape reference protein projected power pharmacophore molecular ligand-space kinase interaction grid-mifs grid framework four-point flap fingerprints fields families discriminating comparison common characterization cavity binding alignment algorithm by zimbo1 on 2009-11-26 16:47:17 as along with 1 person klexa
	Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 10. (26 October 2009), pp. 2333-2343. by Oranit Dror, Dina Schneidman-Duhovny, Yuval Inbar, Ruth Nussinov, Haim J. Wolfson posted to screening sbdd pharmacophore nov09 by klexa on 2009-11-04 15:20:15 as
	Conformational Sampling of Druglike Molecules with MOE and Catalyst: Implications for Pharmacophore Modeling and Virtual Screening [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 9. (22 September 2008), pp. 1773-1791. by I-Jen Chen, Nicolas Foloppe posted to sampling pharmacophore nov09 moe conformation catalyst by pmung on 2009-11-04 00:06:13 as along with 1 person thanatos
	Three-Dimensional Pharmacophore Methods in Drug Discovery [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Andrew R. Leach, Valerie J. Gillet, Richard A. Lewis, Robin Taylor posted to pharmacophore by ahmetbakan on 2009-10-19 01:44:42 as
	Predicting Multiple Ligand Binding Modes Using Self-Consistent Pharmacophore Hypotheses [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 9. (28 September 2009), pp. 2116-2128. by Izhar Wallach, Ryan Lilien posted to pharmacophore kinase by GermanErlenkamp on 2009-10-07 13:43:16 as
	Strategies toward the Design of Novel and Selective Protein Tyrosine Kinase Inhibitors [My Copy] Pharmacology & Therapeutics, Vol. 82, No. 2-3. (June 1999), pp. 195-206. by P. Traxler posted to tyrosine receptor protein platelet-derived pharmacophore model kinase inhibitors growth factor epidermal competitive atp by GermanErlenkamp on 2009-10-07 13:29:56 as
	Development and NMR validation of minimal pharmacophore hypotheses for the generation of fragment libraries enriched in heparanase inhibitors [My Copy] Journal of Computer-Aided Molecular Design, Vol. 23, No. 8. (1 August 2009), pp. 555-569. by Rafael Gozalbes, Silvia Mosulén, Rodrigo Carbajo, Antonio Pineda-Lucena posted to pharmacophore nmr library jcamd inhibitor fragment aug09 by klexa on 2009-08-11 19:22:44 as
	Flexible Alignment of Small Molecules [My Copy] Journal of Medicinal Chemistry, Vol. 44, No. 10. (1 May 2001), pp. 1483-1490. by Paul Labute, Chris Williams, Miklos Feher, Elizabeth Sourial, Jonathan M. Schmidt posted to pharmacophore superposition by superpyrin on 2009-06-25 12:29:13 as
	ShaEP: Molecular Overlay Based on Shape and Electrostatic Potential [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 2. (23 February 2009), pp. 492-502. by Mikko J. Vainio, Santeri J. Puranen, Mark S. Johnson posted to pharmacophore superposition by superpyrin on 2009-06-25 12:22:22 as along with 3 people and 1 group ubcg08l sobolevnrm sschurer baker-group
	Novel Approach to Structure-Based Pharmacophore Search Using Computational Geometry and Shape Matching Techniques [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 4. (1 April 2008), pp. 889-901. by Jerry O. Ebalunode, Zheng Ouyang, Jie Liang, Weifan Zheng posted to pharmacophore by superpyrin on 2009-06-14 08:34:29 as along with 1 person kaliif
	Structure-Based Shape Pharmacophore Modeling for the Discovery of Novel Anesthetic Compounds [My Copy] Bioorganic & Medicinal Chemistry (29 May 2009) by Jerry O. Ebalunode, Xialan Dong, Zheng Ouyang, Jie Liang, Roderic G. Eckenhoff, Weifan Zheng posted to pharmacophore scoring by superpyrin on 2009-06-14 08:24:40 as
	Chemical Function Queries for 3D Database Search [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 34, No. 6. (1 November 1994), pp. 1297-1308. by Jonathan Greene, Scott Kahn, Hamid Savoj, Peter Sprague, Steven Teig posted to molecular_alignment pharmacophore by JALumley on 2009-05-21 15:14:58 as
	A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application [My Copy] J. Chem. Inf. Model. (9 January 2007) by M. Baroni, G. Cruciani, S. Sciabola, F. Perruccio, J. S. Mason posted to grid ligand-based pharmacophore structure-based by tbinbal on 2009-05-21 12:51:09 as along with 2 people sschurer daevans
	Incorporating Molecular Shape into the Alignment-free GRid-INdependent Descriptors [My Copy] J. Med. Chem., Vol. 47, No. 11. (20 May 2004), pp. 2805-2815. by F. Fontaine, M. Pastor, F. Sanz posted to grid ligand-based pharmacophore shape surface by tbinbal on 2009-05-21 12:45:14 as along with 1 person daevans
	Development and Validation of AMANDA, a New Algorithm for Selecting Highly Relevant Regions in Molecular Interaction Fields [My Copy] J. Chem. Inf. Model. (12 August 2008) by Ángel Durán, Guillermo C. Martínez, Manuel Pastor posted to grid ligand-based pharmacophore by tbinbal on 2009-05-21 11:44:01 as along with 1 person middledomain
	Pharmacophore discovery--lessons learned. [My Copy] Current pharmaceutical design, Vol. 9, No. 20. (2003), pp. 1649-1664. by J. H. van Drie posted to eben ligand-based pharmacophore review by tbinbal on 2009-05-21 08:29:15 as
	Molecule-pharmacophore superpositioning and pattern matching in computational drug design [My Copy] Drug Discovery Today, Vol. 13, No. 1-2. (January 2008), pp. 23-29. by G. Wolber posted to ligand-based pharmacophore review by tbinbal on 2009-05-21 08:25:08 as
	Molecular field extrema as descriptors of biological activity: definition and validation. [My Copy] J Chem Inf Model, Vol. 46, No. 2. (r 2006), pp. 665-676. by T. Cheeseright, M. Mackey, S. Rose, A. Vinter posted to ligand-based mif pharmacophore by tbinbal on 2009-05-21 08:22:04 as along with 1 person daevans
	Towards more accurate pharmacophore modeling: Multicomplex-based comprehensive pharmacophore map and most-frequent-feature pharmacophore model of CDK2 [My Copy] Journal of Molecular Graphics and Modelling, Vol. 27, No. 4. (November 2008), pp. 430-438. by J. Zou, H. Xie, S. Yang, J. Chen, J. Ren, Y. Wei posted to pharmacophore structure-based by tbinbal on 2009-05-21 07:34:40 as along with 1 person sschurer
	LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters [My Copy] J. Chem. Inf. Model., Vol. 45, No. 1. (24 January 2005), pp. 160-169. by G. Wolber, T. Langer posted to pharmacophore structure-based by tbinbal on 2009-05-21 07:31:21 as along with 4 people superpyrin GermanErlenkamp apostola massivemayhem
	Targets Looking for Drugs: A Multistep Computational Protocol for the Development of Structure-Based Pharmacophores and Their Applications for Hit Discovery [My Copy] J. Chem. Inf. Model. (23 October 2008) by Cristina Tintori, Valentina Corradi, Matteo Magnani, Fabrizio Manetti, Maurizio Botta posted to grid pharmacophore structure-based by tbinbal on 2009-05-21 07:16:21 as along with 2 people superpyrin zimbo1
	GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition [My Copy] Bioinformatics, Vol. 22, No. 12. (15 June 2006), pp. 1449-1455. by Francesco Ortuso, Thierry Langer, Stefano Alcaro posted to grid pharmacophore structure-based surface by tbinbal on 2009-05-21 07:11:56 as
	Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 7. (1 July 2008), pp. 1396-1410. by Caterina Barillari, Gilles Marcou, Didier Rognan posted to pharmacophore structure-based by tbinbal on 2009-05-21 07:06:36 as along with 3 people xdeupi superpyrin higueruelo
	Fuzzy Pharmacophore Models from Molecular Alignments for Correlation-Vector-Based Virtual Screening [My Copy] Journal of Medicinal Chemistry, Vol. 47, No. 19. (1 September 2004), pp. 4653-4664. by Steffen Renner, Gisbert Schneider posted to pharmacophore screening by superpyrin on 2009-05-04 10:01:20 as
	Scaffold hopping by "fuzzy" pharmacophores and its application to RNA targets. [My Copy] Chembiochem, Vol. 8, No. 16. (5 November 2007), pp. 1932-1936. by Y. Tanrikulu, M. Nietert, U. Scheffer, et al.E. Proschak, K. Grabowski, P. Schneider, M. Weidlich, M. Karas, M. Göbel, G. Schneider posted to pharmacophore by superpyrin on 2009-05-04 09:52:23 as along with 1 person apostola
	Structure-Based Pharmacophore Screening for Natural-Product-Derived PPARgamma Agonists [My Copy] ChemBioChem, Vol. 10, No. 1. (2009), pp. 75-78. by Yusuf Tanrikulu, Oliver Rau, Oliver Schwarz, et al.Ewgenij Proschak, Karsten Siems, Lutz Müller-Kuhrt, Manfred Schubert-Zsilavecz, Gisbert Schneider posted to pharmacophore ppar screening by superpyrin on 2009-05-04 09:46:58 as
	ParaFrag—an approach for surface-based similarity comparison of molecular fragments [My Copy] Journal of Molecular Modeling, Vol. 14, No. 7. (31 July 2008), pp. 547-558. by Arjen-Joachim Jakobi, Harald Mauser, Timothy Clark posted to leadopt pharmacophore by superpyrin on 2009-04-18 12:51:12 as along with 1 person allmensch
	Derivation of Preliminary Three-Dimensional Pharmacophores for Nonhalogenated Volatile Anesthetics [My Copy] Anesth Analg, Vol. 99, No. 3. (1 September 2004), pp. 744-751. by Jason C. Sewell, John W. Sear posted to pharmacophore by superpyrin on 2009-04-03 20:57:46 as
	Pharao: pharmacophore alignment and optimization. [My Copy] Journal of molecular graphics & modelling, Vol. 27, No. 2. (September 2008), pp. 161-169. by J. Taminau, G. Thijs, H. De Winter posted to pharmacophore by superpyrin on 2009-03-17 10:22:36 as
	Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering [My Copy] Journal of Molecular Graphics and Modelling, Vol. 26, No. 8. (June 2008), pp. 1237-1251. by Daniel Muthas, Yogesh A. Sabnis, Magnus Lundborg, Anders Karlén posted to pharmacophore by superpyrin on 2009-03-04 09:04:33 as along with 1 person GermanErlenkamp
	Analysis of Human Cytochrome P450 2C8 Substrate Specificity Using a Substrate Pharmacophore and Site-Directed Mutants† [My Copy] Biochemistry, Vol. 43, No. 49. (1 December 2004), pp. 15379-15392. by Armelle Melet, Cristina Marques-Soares, Guillaume A. Schoch, et al.Anne-Christine Macherey, Maryse Jaouen, Patrick M. Dansette, Marie-Agnes Sari, Eric F. Johnson, Daniel Mansuy posted to pharmacophore by vaibhavdixit4 on 2009-01-23 10:17:41 as
	Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes? [My Copy] Journal of Computer-Aided Molecular Design, Vol. 22, No. 3. (16 March 2008), pp. 213-228. by Johannes Kirchmair, Patrick Markt, Simona Distinto, Gerhard Wolber, Thierry Langer posted to docking enrichment ligand modeling pharmacophore protein rmsd screening virtual by GermanErlenkamp on 2008-08-07 10:43:13 as
	Protein Kinase C Ligands Based on Tetrahydrofuran Templates Containing a New Set of Phorbol Ester Pharmacophores [My Copy] J. Med. Chem., Vol. 42, No. 20. (7 October 1999), pp. 4129-4139. by J. Lee, J. H. Kang, S. Y. Lee, et al.K. C. Han, C. M. Torres, D. K. Bhattacharyya, P. M. Blumberg, V. E. Marquez posted to based inhibitor ligand pharmacophore pkc by GermanErlenkamp on 2008-07-09 10:48:22 as
	Pharmacophore Perception, Development, and Use in Drug Design (Iul Biotechnology Series) [My Copy] (01 February 2000) by Osman F. Guner posted to molecular_alignment pharmacophore virtual_screening by JALumley on 2008-04-28 11:46:31 as along with 1 person jerome
	Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches [My Copy] J. Chem. Inf. Model. (11 October 2007) by J. Kirchmair, S. Ristic, K. Eder, et al.P. Markt, G. Wolber, C. Laggner, T. Langer posted to homdock pharmacophore by apostola on 2008-03-17 00:06:08 as along with 1 person daevans
	Parallel screening and activity profiling with HIV protease inhibitor pharmacophore models. [My Copy] J Chem Inf Model, Vol. 47, No. 2. (r 2007), pp. 563-571. by T. M. Steindl, D. Schuster, C. Laggner, K. Chuang, R. D. Hoffmann, T. Langer posted to inverse pharmacophore by apostola on 2008-03-17 00:02:22 as
	Parallel screening: a novel concept in pharmacophore modeling and virtual screening. [My Copy] J Chem Inf Model, Vol. 46, No. 5. (t 2006), pp. 2146-2157. by T. M. Steindl, D. Schuster, C. Laggner, T. Langer posted to inverse pharmacophore by apostola on 2008-03-17 00:00:18 as along with 2 people jbhonsle tjimenez
	Combining Pharmacophore Fingerprints and PLS-Discriminant Analysis for Virtual Screening and SAR Elucidation [My Copy] J. Chem. Inf. Model. (19 February 2008) by S. Askjaer, M. Langgard posted to pharmacophore virtual_screening by daevans on 2008-02-24 12:43:27 as
	Naïve Bayes Classification Using 2D Pharmacophore Feature Triplet Vectors [My Copy] J. Chem. Inf. Model., Vol. 48, No. 1. (28 January 2008), pp. 166-178. by P. Watson posted to pharmacophore by daevans on 2008-02-11 22:20:43 as along with 1 person LamBras
	The use of ligand-based de novo design for scaffold hopping and sidechain optimization: Two case studies [My Copy] Bioorganic & Medicinal Chemistry In Nucleic Acid Modification for Fluroescence-Based Technologies, Vol. 16, No. 1. (1 January 2008), pp. 422-427. by Miklos Feher, Yinghong Gao, Christian J. Baber, William A. Shirley, John Saunders posted to denovo pharmacophore by daevans on 2008-02-11 21:45:22 as
	Novel GSK-3[beta] inhibitors from sequential virtual screening [My Copy] Bioorganic & Medicinal Chemistry, Vol. 16, No. 2. (15 January 2008), pp. 636-643. by Hye-Jung Kim, Hyunah Choo, Yong S. Cho, Kyoung T. No, Ae N. Pae posted to catalyst pharmacophore virtual_screening by daevans on 2008-02-11 21:37:00 as
	Discovery of new MurF inhibitors via pharmacophore modeling and QSAR analysis followed by in-silico screening [My Copy] Bioorganic & Medicinal Chemistry, Vol. 16, No. 3. (1 February 2008), pp. 1218-1235. by Mutasem O. Taha, Naji Atallah, Amal G. Al-Bakri, et al.Catherine Paradis-Bleau, Hiba Zalloum, Khaled S. Younis, Roger C. Levesque posted to 3dqsar pharmacophore by daevans on 2008-02-11 21:30:31 as
	The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNA. [My Copy] J Comput Aided Mol Des (7 December 2007) by Andreas Schüller, Marcel Suhartono, Uli Fechner, et al.Yusuf Tanrikulu, Sven Breitung, Ute Scheffer, Michael W. Göbel, Gisbert Schneider posted to pharmacophore scaffold by apostola on 2008-01-23 09:13:40 as
	Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop. [My Copy] Structure, Vol. 11, No. 4. (April 2003), pp. 399-410. by S. Y. Wu, I. McNae, G. Kontopidis, et al.S. J. McClue, C. McInnes, K. J. Stewart, S. Wang, D. I. Zheleva, H. Marriage, D. P. Lane, P. Taylor, P. M. Fischer, M. D. Walkinshaw posted to docking pharmacophore by apostola on 2008-01-03 15:19:34 as
	"Scaffold-Hopping" by Topological Pharmacophore Search: A Contribution to Virtual Screening. [My Copy] Angew Chem Int Ed Engl, Vol. 38, No. 19. (4 October 1999), pp. 2894-2896. by G. Schneider, W. Neidhart, T. Giller, G. Schmid posted to fingerprint pharmacophore topological by apostola on 2008-01-03 10:42:39 as along with 1 person LamBras
	Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy. [My Copy] J Med Chem, Vol. 49, No. 13. (29 June 2006), pp. 3759-3762. by Y. Lu, Z. Nikolovska-Coleska, X. Fang, et al.W. Gao, S. Shangary, S. Qiu, D. Qin, S. Wang posted to docking nanomolar pharmacophore by pkolb on 2007-11-30 18:00:55 as along with 2 people blackbart higueruelo
	Virtual screening for inhibitors of human aldose reductase [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 55, No. 4. (2004), pp. 814-823. by Oliver Kraemer, Isabelle Hazemann, Alberto D. Podjarny, Gerhard Klebe posted to docking pharmacophore search by pkolb on 2007-11-30 17:56:17 as along with 1 person apostola
	MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities [My Copy] Journal of Computer-Aided Molecular Design, Vol. 12, No. 2. (1 March 1998), pp. 133-146. by Traian Sulea, Ludovic Kurunczi, Tudor I. Oprea, Zeno Simon posted to 3dqsar conformational-analysis pharmacophore by daevans on 2007-11-22 08:54:44 as
	Feature-map vectors: a new class of informative descriptors for computational drug discovery [My Copy] Journal of Computer-Aided Molecular Design, Vol. 20, No. 12. (December 2006), pp. 751-762. by Landrum, Gregory, Penzotti, Julie, Putta, Santosh posted to drug-design drug-discovery fragments pharmacophore by massivemayhem on 2007-11-07 16:49:18 as
	A 3D QSAR Study on a Set of Dopamine D<sub>4</sub> Receptor Antagonists [My Copy] J. Chem. Inf. Comput. Sci., Vol. 43, No. 3. (27 May 2003), pp. 1020-1027. by J. Bostrom, M. Bohm, K. Gundertofte, G. Klebe posted to 3dqsar comfa comsia pharmacophore by daevans on 2007-11-05 09:51:12 as

Note: You may cite this page as: http://www.citeulike.org/tag/pharmacophore

Result page: 1 2 Next

Sort by:
Order:	Default Ascending Descending
Empty fields:	Default First Last

screening	16
structure-based	15
ligand-based	12
grid	11
docking	9
catalyst	5
sbdd	5
virtual	5
fragment	4
inhibitor	4
kinase	4
mif	4
nov09	4
review	4
shape	4
superposition	4
surface	4
virtual_screening	4
3dqsar	3
_docking	3
based	3
eben	3
fingerprints	3
ligand	3
protein	3
3d-qsar	2
5ht	2
5ht1a	2
5ht4	2
5ht6	2
5ht7	2
alignment	2
antagonist	2
aug09	2
conformation	2
crth2	2
de-novo-design	2
enrichment	2
framework	2
hopping	2
inverse	2
jcamd	2
library	2
model	2
moe	2
molecular_alignment	2
nmr	2
overlay	2
pgp	2
ppar	2
receptor	2
sampling	2
scaffold	2
scoring	2
2005	1
2008	1
2009	1
active_site	1
adme	1
algorithm	1
atp	1
b2	1
binding_modes	1
bradykinin	1
cavity	1
characterization	1
chemoinformatics	1
comfa	1
common	1
comparison	1
denovo	1
discriminating	1
drug-design	1
drug-discovery	1
families	1
fields	1
fingerprint	1
flexible	1
flexx	1
four-point	1
fragments	1
grid-based	1
growth	1
inhibitors	1
leadopt	1
modeling	1
molecular	1
mutation	1
nanomolar	1
performance	1
pharmid	1
pkc	1
power	1
rmsd	1
rocs	1
sar	1
sites	1
structural	1
structure	1
tyrosine	1

Tag pharmacophore [63 articles] Export Sort

Related Tags