256 related articles for article (PubMed ID: 19671127)
1. Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity.
Quintus F; Sperandio O; Grynberg J; Petitjean M; Tuffery P
BMC Bioinformatics; 2009 Aug; 10():245. PubMed ID: 19671127
[TBL] [Abstract][Full Text] [Related]
2. wwLigCSRre: a 3D ligand-based server for hit identification and optimization.
Sperandio O; Petitjean M; Tuffery P
Nucleic Acids Res; 2009 Jul; 37(Web Server issue):W504-9. PubMed ID: 19429687
[TBL] [Abstract][Full Text] [Related]
3. The SwissSimilarity 2021 Web Tool: Novel Chemical Libraries and Additional Methods for an Enhanced Ligand-Based Virtual Screening Experience.
Bragina ME; Daina A; Perez MAS; Michielin O; Zoete V
Int J Mol Sci; 2022 Jan; 23(2):. PubMed ID: 35054998
[TBL] [Abstract][Full Text] [Related]
4. A comprehensive comparative assessment of 3D molecular similarity tools in ligand-based virtual screening.
Jiang Z; Xu J; Yan A; Wang L
Brief Bioinform; 2021 Nov; 22(6):. PubMed ID: 34151363
[TBL] [Abstract][Full Text] [Related]
5. Rapid Identification of Potential Drug Candidates from Multi-Million Compounds' Repositories. Combination of 2D Similarity Search with 3D Ligand/Structure Based Methods and In Vitro Screening.
Szilágyi K; Flachner B; Hajdú I; Szaszkó M; Dobi K; Lőrincz Z; Cseh S; Dormán G
Molecules; 2021 Sep; 26(18):. PubMed ID: 34577064
[TBL] [Abstract][Full Text] [Related]
6. Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational Resources.
Yan X; Liao C; Liu Z; Hagler AT; Gu Q; Xu J
Curr Drug Targets; 2016; 17(14):1580-1585. PubMed ID: 26521773
[TBL] [Abstract][Full Text] [Related]
7. mRAISE: an alternative algorithmic approach to ligand-based virtual screening.
von Behren MM; Bietz S; Nittinger E; Rarey M
J Comput Aided Mol Des; 2016 Aug; 30(8):583-94. PubMed ID: 27565795
[TBL] [Abstract][Full Text] [Related]
8. LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening.
Hu J; Liu Z; Yu DJ; Zhang Y
Bioinformatics; 2018 Jul; 34(13):2209-2218. PubMed ID: 29462237
[TBL] [Abstract][Full Text] [Related]
9. Combination of Pharmacophore Matching, 2D Similarity Search, and In Vitro Biological Assays in the Selection of Potential 5-HT6 Antagonists from Large Commercial Repositories.
Dobi K; Flachner B; Pukáncsik M; Máthé E; Bognár M; Szaszkó M; Magyar C; Hajdú I; Lőrincz Z; Simon I; Fülöp F; Cseh S; Dormán G
Chem Biol Drug Des; 2015 Oct; 86(4):864-80. PubMed ID: 25823681
[TBL] [Abstract][Full Text] [Related]
10. LEAP into the Pfizer Global Virtual Library (PGVL) space: creation of readily synthesizable design ideas automatically.
Hu Q; Peng Z; Kostrowicki J; Kuki A
Methods Mol Biol; 2011; 685():253-76. PubMed ID: 20981528
[TBL] [Abstract][Full Text] [Related]
11. Forging New Scaffolds from Old: Combining Scaffold Hopping and Hierarchical Virtual Screening for Identifying Novel Bcl-2 Inhibitors.
Kanakaveti V; Rathinasamy S; Rayala SK; Gromiha M
Curr Top Med Chem; 2019; 19(13):1162-1172. PubMed ID: 31210110
[TBL] [Abstract][Full Text] [Related]
12. SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.
Wei NN; Hamza A
J Chem Inf Model; 2014 Jan; 54(1):338-46. PubMed ID: 24328054
[TBL] [Abstract][Full Text] [Related]
13. 3D Chemical Similarity Networks for Structure-Based Target Prediction and Scaffold Hopping.
Lo YC; Senese S; Damoiseaux R; Torres JZ
ACS Chem Biol; 2016 Aug; 11(8):2244-53. PubMed ID: 27285961
[TBL] [Abstract][Full Text] [Related]
14. Scopy: an integrated negative design python library for desirable HTS/VS database design.
Yang ZY; Yang ZJ; Lu AP; Hou TJ; Cao DS
Brief Bioinform; 2021 May; 22(3):. PubMed ID: 32892221
[TBL] [Abstract][Full Text] [Related]
15. Towards the chemoinformatic-based identification of DNA methyltransferase inhibitors: 2D- and 3D-similarity profile of screening libraries.
Yoo J; Medina-Franco JL
Curr Comput Aided Drug Des; 2012 Dec; 8(4):317-29. PubMed ID: 22734709
[TBL] [Abstract][Full Text] [Related]
16. MTiOpenScreen: a web server for structure-based virtual screening.
Labbé CM; Rey J; Lagorce D; Vavruša M; Becot J; Sperandio O; Villoutreix BO; Tufféry P; Miteva MA
Nucleic Acids Res; 2015 Jul; 43(W1):W448-54. PubMed ID: 25855812
[TBL] [Abstract][Full Text] [Related]
17. AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening.
Pencheva T; Lagorce D; Pajeva I; Villoutreix BO; Miteva MA
BMC Bioinformatics; 2008 Oct; 9():438. PubMed ID: 18925937
[TBL] [Abstract][Full Text] [Related]
18. Fragment-Based Ligand Designing.
Katiyar SP; Malik V; Kumari A; Singh K; Sundar D
Methods Mol Biol; 2018; 1762():123-144. PubMed ID: 29594771
[TBL] [Abstract][Full Text] [Related]
19. Design of chemical libraries with potentially bioactive molecules applying a maximum common substructure concept.
Lisurek M; Rupp B; Wichard J; Neuenschwander M; von Kries JP; Frank R; Rademann J; Kühne R
Mol Divers; 2010 May; 14(2):401-8. PubMed ID: 19685275
[TBL] [Abstract][Full Text] [Related]
20. SHAFTS: a hybrid approach for 3D molecular similarity calculation. 1. Method and assessment of virtual screening.
Liu X; Jiang H; Li H
J Chem Inf Model; 2011 Sep; 51(9):2372-85. PubMed ID: 21819157
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
