274 related articles for article (PubMed ID: 36555602)
1. A Comprehensive Survey of Prospective Structure-Based Virtual Screening for Early Drug Discovery in the Past Fifteen Years.
Zhu H; Zhang Y; Li W; Huang N
Int J Mol Sci; 2022 Dec; 23(24):. PubMed ID: 36555602
[TBL] [Abstract][Full Text] [Related]
2. DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations.
Cuzzolin A; Sturlese M; Malvacio I; Ciancetta A; Moro S
Molecules; 2015 May; 20(6):9977-93. PubMed ID: 26035098
[TBL] [Abstract][Full Text] [Related]
3. Combined strategies in structure-based virtual screening.
Wang Z; Sun H; Shen C; Hu X; Gao J; Li D; Cao D; Hou T
Phys Chem Chem Phys; 2020 Feb; 22(6):3149-3159. PubMed ID: 31995074
[TBL] [Abstract][Full Text] [Related]
4. Structure-Based Virtual Screening.
Li Q; Shah S
Methods Mol Biol; 2017; 1558():111-124. PubMed ID: 28150235
[TBL] [Abstract][Full Text] [Related]
5. Considerations Around Structure-Based Drug Discovery for KRAS Using DOCK.
Chakrabarti M; Tan YS; Balius TE
Methods Mol Biol; 2024; 2797():67-90. PubMed ID: 38570453
[TBL] [Abstract][Full Text] [Related]
6. Target-based virtual screening, computational multiscoring docking and molecular dynamics simulation of small molecules as promising drug candidate affecting kinesin-like protein KIFC1.
Khan MKA; Ahmad S; Rabbani G; Shahab U; Khan MS
Cell Biochem Funct; 2022 Jul; 40(5):451-472. PubMed ID: 35758564
[TBL] [Abstract][Full Text] [Related]
7. Virtual Screening of Novel Glucosamine-6-Phosphate Synthase Inhibitors.
Lather A; Sharma S; Khatkar A
Comb Chem High Throughput Screen; 2018; 21(3):182-193. PubMed ID: 29600755
[TBL] [Abstract][Full Text] [Related]
8. Structure-Based Virtual Screening of Commercially Available Compound Libraries.
Kireev D
Methods Mol Biol; 2016; 1439():65-76. PubMed ID: 27316988
[TBL] [Abstract][Full Text] [Related]
9. Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review.
Sabe VT; Ntombela T; Jhamba LA; Maguire GEM; Govender T; Naicker T; Kruger HG
Eur J Med Chem; 2021 Nov; 224():113705. PubMed ID: 34303871
[TBL] [Abstract][Full Text] [Related]
10. Identification of type I and type II inhibitors of c-Yes kinase using in silico and experimental techniques.
Ramakrishnan C; Mary Thangakani A; Velmurugan D; Anantha Krishnan D; Sekijima M; Akiyama Y; Gromiha MM
J Biomol Struct Dyn; 2018 May; 36(6):1566-1576. PubMed ID: 28589758
[TBL] [Abstract][Full Text] [Related]
11. Hierarchical virtual screening approaches in small molecule drug discovery.
Kumar A; Zhang KY
Methods; 2015 Jan; 71():26-37. PubMed ID: 25072167
[TBL] [Abstract][Full Text] [Related]
12. Structure based virtual screening-driven identification of monastrol as a potent urease inhibitor.
Rashid U; Batool I; Wadood A; Khan A; ul-Haq Z; Chaudhary MI; Ansari FL
J Mol Graph Model; 2013 Jun; 43():47-57. PubMed ID: 23727895
[TBL] [Abstract][Full Text] [Related]
13. Structure-based virtual screening for drug discovery: principles, applications and recent advances.
Lionta E; Spyrou G; Vassilatis DK; Cournia Z
Curr Top Med Chem; 2014; 14(16):1923-38. PubMed ID: 25262799
[TBL] [Abstract][Full Text] [Related]
14. Panel docking of small-molecule libraries - Prospects to improve efficiency of lead compound discovery.
Sarnpitak P; Mujumdar P; Taylor P; Cross M; Coster MJ; Gorse AD; Krasavin M; Hofmann A
Biotechnol Adv; 2015 Nov; 33(6 Pt 1):941-7. PubMed ID: 26025037
[TBL] [Abstract][Full Text] [Related]
15. Novel inhibitor discovery through virtual screening against multiple protein conformations generated via ligand-directed modeling: a maternal embryonic leucine zipper kinase example.
Mahasenan KV; Li C
J Chem Inf Model; 2012 May; 52(5):1345-55. PubMed ID: 22540736
[TBL] [Abstract][Full Text] [Related]
16. Recent Advances in Virtual Screening for Cholinesterase Inhibitors.
Miles JA; Ross BP
ACS Chem Neurosci; 2021 Jan; 12(1):30-41. PubMed ID: 33350300
[TBL] [Abstract][Full Text] [Related]
17. Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification.
Daga PR; Polgar WE; Zaveri NT
J Chem Inf Model; 2014 Oct; 54(10):2732-43. PubMed ID: 25148595
[TBL] [Abstract][Full Text] [Related]
18. Reliability analysis and optimization of the consensus docking approach for the development of virtual screening studies.
Poli G; Martinelli A; Tuccinardi T
J Enzyme Inhib Med Chem; 2016; 31(sup2):167-173. PubMed ID: 27311630
[TBL] [Abstract][Full Text] [Related]
19. The Impact of Supervised Learning Methods in Ultralarge High-Throughput Docking.
Cavasotto CN; Di Filippo JI
J Chem Inf Model; 2023 Apr; 63(8):2267-2280. PubMed ID: 37036491
[TBL] [Abstract][Full Text] [Related]
20. Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide.
Kawatkar S; Wang H; Czerminski R; Joseph-McCarthy D
J Comput Aided Mol Des; 2009 Aug; 23(8):527-39. PubMed ID: 19495993
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
