202 related articles for article (PubMed ID: 16787149)
1. A pseudo-ligand approach to virtual screening.
Schüller A; Fechner U; Renner S; Franke L; Weber L; Schneider G
Comb Chem High Throughput Screen; 2006 Jun; 9(5):359-64. PubMed ID: 16787149
[TBL] [Abstract][Full Text] [Related]
2. Fuzzy pharmacophore models from molecular alignments for correlation-vector-based virtual screening.
Renner S; Schneider G
J Med Chem; 2004 Sep; 47(19):4653-64. PubMed ID: 15341481
[TBL] [Abstract][Full Text] [Related]
3. Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa.
Krovat EM; Frühwirth KH; Langer T
J Chem Inf Model; 2005; 45(1):146-59. PubMed ID: 15667140
[TBL] [Abstract][Full Text] [Related]
4. Novel approach for efficient pharmacophore-based virtual screening: method and applications.
Dror O; Schneidman-Duhovny D; Inbar Y; Nussinov R; Wolfson HJ
J Chem Inf Model; 2009 Oct; 49(10):2333-43. PubMed ID: 19803502
[TBL] [Abstract][Full Text] [Related]
5. Novel 2D fingerprints for ligand-based virtual screening.
Ewing T; Baber JC; Feher M
J Chem Inf Model; 2006; 46(6):2423-31. PubMed ID: 17125184
[TBL] [Abstract][Full Text] [Related]
6. Novel technologies for virtual screening.
Lengauer T; Lemmen C; Rarey M; Zimmermann M
Drug Discov Today; 2004 Jan; 9(1):27-34. PubMed ID: 14761803
[TBL] [Abstract][Full Text] [Related]
7. Extraction and visualization of potential pharmacophore points using support vector machines: application to ligand-based virtual screening for COX-2 inhibitors.
Franke L; Byvatov E; Werz O; Steinhilber D; Schneider P; Schneider G
J Med Chem; 2005 Nov; 48(22):6997-7004. PubMed ID: 16250658
[TBL] [Abstract][Full Text] [Related]
8. Pharmacophore alignment search tool: influence of scoring systems on text-based similarity searching.
Hähnke V; Schneider G
J Comput Chem; 2011 Jun; 32(8):1635-47. PubMed ID: 21328403
[TBL] [Abstract][Full Text] [Related]
9. Discovery of novel HIV entry inhibitors for the CXCR4 receptor by prospective virtual screening.
Pérez-Nueno VI; Pettersson S; Ritchie DW; Borrell JI; Teixidó J
J Chem Inf Model; 2009 Apr; 49(4):810-23. PubMed ID: 19358515
[TBL] [Abstract][Full Text] [Related]
10. Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).
Oloff S; Zhang S; Sukumar N; Breneman C; Tropsha A
J Chem Inf Model; 2006; 46(2):844-51. PubMed ID: 16563016
[TBL] [Abstract][Full Text] [Related]
11. Applications of random sampling to virtual screening of combinatorial libraries.
Beroza P; Bradley EK; Eksterowicz JE; Feinstein R; Greene J; Grootenhuis PD; Henne RM; Mount J; Shirley WA; Smellie A; Stanton RV; Spellmeyer DC
J Mol Graph Model; 2000; 18(4-5):335-42. PubMed ID: 11143553
[TBL] [Abstract][Full Text] [Related]
12. Matrix-based Molecular Descriptors for Prospective Virtual Compound Screening.
Grisoni F; Reker D; Schneider P; Friedrich L; Consonni V; Todeschini R; Koeberle A; Werz O; Schneider G
Mol Inform; 2017 Jan; 36(1-2):. PubMed ID: 27650559
[TBL] [Abstract][Full Text] [Related]
13. Improving VEGFR-2 docking-based screening by pharmacophore postfiltering and similarity search postprocessing.
Planesas JM; Claramunt RM; Teixidó J; Borrell JI; Pérez-Nueno VI
J Chem Inf Model; 2011 Apr; 51(4):777-87. PubMed ID: 21417262
[TBL] [Abstract][Full Text] [Related]
14. A virtual active compound produced from the negative image of a ligand-binding pocket, and its application to in-silico drug screening.
Fukunishi Y; Kubota S; Kanai C; Nakamura H
J Comput Aided Mol Des; 2006 Apr; 20(4):237-48. PubMed ID: 16897580
[TBL] [Abstract][Full Text] [Related]
15. Extraction of pharmacophore information from high-throughput screens.
Hopfinger AJ; Duca JS
Curr Opin Biotechnol; 2000 Feb; 11(1):97-103. PubMed ID: 10679338
[TBL] [Abstract][Full Text] [Related]
16. High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.
Steindl TM; Schuster D; Wolber G; Laggner C; Langer T
J Comput Aided Mol Des; 2006 Dec; 20(12):703-15. PubMed ID: 17009092
[TBL] [Abstract][Full Text] [Related]
17. Virtual Ligand Screening Using PL-PatchSurfer2, a Molecular Surface-Based Protein-Ligand Docking Method.
Shin WH; Kihara D
Methods Mol Biol; 2018; 1762():105-121. PubMed ID: 29594770
[TBL] [Abstract][Full Text] [Related]
18. Combining ethnopharmacology and virtual screening for lead structure discovery: COX-inhibitors as application example.
Rollinger JM; Haupt S; Stuppner H; Langer T
J Chem Inf Comput Sci; 2004; 44(2):480-8. PubMed ID: 15032527
[TBL] [Abstract][Full Text] [Related]
19. HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.
Floriano WB; Vaidehi N; Zamanakos G; Goddard WA
J Med Chem; 2004 Jan; 47(1):56-71. PubMed ID: 14695820
[TBL] [Abstract][Full Text] [Related]
20. All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening.
Tran-Nguyen VK; Da Silva F; Bret G; Rognan D
J Chem Inf Model; 2019 Jan; 59(1):573-585. PubMed ID: 30563339
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
