183 related articles for article (PubMed ID: 31614716)
1. DockNmine, a Web Portal to Assemble and Analyse Virtual and Experimental Interaction Data.
Gheyouche E; Launay R; Lethiec J; Labeeuw A; Roze C; Amossé A; Téletchéa S
Int J Mol Sci; 2019 Oct; 20(20):. PubMed ID: 31614716
[TBL] [Abstract][Full Text] [Related]
2. A new ChEMBL dataset for the similarity-based target fishing engine FastTargetPred: Annotation of an exhaustive list of linear tetrapeptides.
Tanwar S; Auberger P; Gillet G; DiPaola M; Tsaioun K; Villoutreix BO
Data Brief; 2022 Jun; 42():108159. PubMed ID: 35496477
[TBL] [Abstract][Full Text] [Related]
3. FINDSITE
Zhou H; Cao H; Skolnick J
J Chem Inf Model; 2018 Nov; 58(11):2343-2354. PubMed ID: 30278128
[TBL] [Abstract][Full Text] [Related]
4. Mapping small molecule binding data to structural domains.
Kruger FA; Rostom R; Overington JP
BMC Bioinformatics; 2012; 13 Suppl 17(Suppl 17):S11. PubMed ID: 23282026
[TBL] [Abstract][Full Text] [Related]
5. Building a virtual ligand screening pipeline using free software: a survey.
Glaab E
Brief Bioinform; 2016 Mar; 17(2):352-66. PubMed ID: 26094053
[TBL] [Abstract][Full Text] [Related]
6. Domain-based small molecule binding site annotation.
Snyder KA; Feldman HJ; Dumontier M; Salama JJ; Hogue CW
BMC Bioinformatics; 2006 Mar; 7():152. PubMed ID: 16545112
[TBL] [Abstract][Full Text] [Related]
7. In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE.
Hoffer L; Renaud JP; Horvath D
J Chem Inf Model; 2013 Apr; 53(4):836-51. PubMed ID: 23537132
[TBL] [Abstract][Full Text] [Related]
8. Structure-Based Virtual Screening.
Li Q; Shah S
Methods Mol Biol; 2017; 1558():111-124. PubMed ID: 28150235
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Integrating statistical predictions and experimental verifications for enhancing protein-chemical interaction predictions in virtual screening.
Nagamine N; Shirakawa T; Minato Y; Torii K; Kobayashi H; Imoto M; Sakakibara Y
PLoS Comput Biol; 2009 Jun; 5(6):e1000397. PubMed ID: 19503826
[TBL] [Abstract][Full Text] [Related]
11. DDT - Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysis.
Aureli S; Di Marino D; Raniolo S; Limongelli V
Bioinformatics; 2019 Dec; 35(24):5328-5330. PubMed ID: 31304963
[TBL] [Abstract][Full Text] [Related]
12. eModel-BDB: a database of comparative structure models of drug-target interactions from the Binding Database.
Naderi M; Govindaraj RG; Brylinski M
Gigascience; 2018 Aug; 7(8):. PubMed ID: 30052959
[TBL] [Abstract][Full Text] [Related]
13. PDTD: a web-accessible protein database for drug target identification.
Gao Z; Li H; Zhang H; Liu X; Kang L; Luo X; Zhu W; Chen K; Wang X; Jiang H
BMC Bioinformatics; 2008 Feb; 9():104. PubMed ID: 18282303
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL.
Mutowo P; Bento AP; Dedman N; Gaulton A; Hersey A; Lomax J; Overington JP
J Biomed Semantics; 2016 Sep; 7(1):59. PubMed ID: 27678076
[TBL] [Abstract][Full Text] [Related]
16. Free resources to assist structure-based virtual ligand screening experiments.
Villoutreix BO; Renault N; Lagorce D; Sperandio O; Montes M; Miteva MA
Curr Protein Pept Sci; 2007 Aug; 8(4):381-411. PubMed ID: 17696871
[TBL] [Abstract][Full Text] [Related]
17. In silico identification of inhibitors targeting N-Terminal domain of human Replication Protein A.
Çınaroğlu SS; Timuçin E
J Mol Graph Model; 2019 Jan; 86():149-159. PubMed ID: 30366191
[TBL] [Abstract][Full Text] [Related]
18. Predicted Biological Activity of Purchasable Chemical Space.
Irwin JJ; Gaskins G; Sterling T; Mysinger MM; Keiser MJ
J Chem Inf Model; 2018 Jan; 58(1):148-164. PubMed ID: 29193970
[TBL] [Abstract][Full Text] [Related]
19. Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery.
Nowotka MM; Gaulton A; Mendez D; Bento AP; Hersey A; Leach A
Expert Opin Drug Discov; 2017 Aug; 12(8):757-767. PubMed ID: 28602100
[TBL] [Abstract][Full Text] [Related]
20. FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening.
Zhou H; Cao H; Skolnick J
J Chem Inf Model; 2021 Apr; 61(4):2074-2089. PubMed ID: 33724022
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
