305 related articles for article (PubMed ID: 36445582)
1. Computer-Aided Drug Design: An Update.
Yu W; Weber DJ; MacKerell AD
Methods Mol Biol; 2023; 2601():123-152. PubMed ID: 36445582
[TBL] [Abstract][Full Text] [Related]
2. Computer-Aided Drug Design Methods.
Yu W; MacKerell AD
Methods Mol Biol; 2017; 1520():85-106. PubMed ID: 27873247
[TBL] [Abstract][Full Text] [Related]
3. Computer Aided Drug Design and its Application to the Development of Potential Drugs for Neurodegenerative Disorders.
Baig MH; Ahmad K; Rabbani G; Danishuddin M; Choi I
Curr Neuropharmacol; 2018; 16(6):740-748. PubMed ID: 29046156
[TBL] [Abstract][Full Text] [Related]
4. Insights into Machine Learning-based Approaches for Virtual Screening in Drug Discovery: Existing Strategies and Streamlining Through FP-CADD.
Hussain W; Rasool N; Khan YD
Curr Drug Discov Technol; 2021; 18(4):463-472. PubMed ID: 32767944
[TBL] [Abstract][Full Text] [Related]
5. Force Fields for Small Molecules.
Lin FY; MacKerell AD
Methods Mol Biol; 2019; 2022():21-54. PubMed ID: 31396898
[TBL] [Abstract][Full Text] [Related]
6. Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift.
Usha T; Shanmugarajan D; Goyal AK; Kumar CS; Middha SK
Curr Top Med Chem; 2017; 17(30):3296-3307. PubMed ID: 29295698
[TBL] [Abstract][Full Text] [Related]
7. Strategy of computer-aided drug design.
Veselovsky AV; Ivanov AS
Curr Drug Targets Infect Disord; 2003 Mar; 3(1):33-40. PubMed ID: 12570731
[TBL] [Abstract][Full Text] [Related]
8. Application of Site-Identification by Ligand Competitive Saturation in Computer-Aided Drug Design.
Goel H; Hazel A; Yu W; Jo S; MacKerell AD
New J Chem; 2022 Jan; 46(3):919-932. PubMed ID: 35210743
[TBL] [Abstract][Full Text] [Related]
9. Deep Learning in Structure-Based Drug Design.
Anighoro A
Methods Mol Biol; 2022; 2390():261-271. PubMed ID: 34731473
[TBL] [Abstract][Full Text] [Related]
10. Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches.
Raman EP; Lakkaraju SK; Denny RA; MacKerell AD
J Comput Chem; 2017 Jun; 38(15):1238-1251. PubMed ID: 27782307
[TBL] [Abstract][Full Text] [Related]
11. Artificial Neural Networks in Computer-Aided Drug Design: An Overview of Recent Advances.
Cheirdaris DG
Adv Exp Med Biol; 2020; 1194():115-125. PubMed ID: 32468528
[TBL] [Abstract][Full Text] [Related]
12. An Updated Review on Developing Small Molecule Kinase Inhibitors Using Computer-Aided Drug Design Approaches.
Li L; Liu S; Wang B; Liu F; Xu S; Li P; Chen Y
Int J Mol Sci; 2023 Sep; 24(18):. PubMed ID: 37762253
[TBL] [Abstract][Full Text] [Related]
13. Computer-Aided Drug Design towards New Psychotropic and Neurological Drugs.
Dorahy G; Chen JZ; Balle T
Molecules; 2023 Jan; 28(3):. PubMed ID: 36770990
[TBL] [Abstract][Full Text] [Related]
14. Computer-Aided Drug Design and Drug Discovery: A Prospective Analysis.
Niazi SK; Mariam Z
Pharmaceuticals (Basel); 2023 Dec; 17(1):. PubMed ID: 38256856
[TBL] [Abstract][Full Text] [Related]
15. Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method.
Chudyk EI; Sarrat L; Aldeghi M; Fedorov DG; Bodkin MJ; James T; Southey M; Robinson R; Morao I; Heifetz A
Methods Mol Biol; 2018; 1705():179-195. PubMed ID: 29188563
[TBL] [Abstract][Full Text] [Related]
16. CADD, AI and ML in drug discovery: A comprehensive review.
Vemula D; Jayasurya P; Sushmitha V; Kumar YN; Bhandari V
Eur J Pharm Sci; 2023 Feb; 181():106324. PubMed ID: 36347444
[TBL] [Abstract][Full Text] [Related]
17. Computer-Aided Drug Discovery in Plant Pathology.
Shanmugam G; Jeon J
Plant Pathol J; 2017 Dec; 33(6):529-542. PubMed ID: 29238276
[TBL] [Abstract][Full Text] [Related]
18. Application of Virtual Screening Approaches for the Identification of Small Molecule Inhibitors of the Methyllysine Reader Protein Spindlin1.
Luise C; Robaa D
Methods Mol Biol; 2018; 1824():347-370. PubMed ID: 30039418
[TBL] [Abstract][Full Text] [Related]
19. Docking-based generative approaches in the search for new drug candidates.
Danel T; Łęski J; Podlewska S; Podolak IT
Drug Discov Today; 2023 Feb; 28(2):103439. PubMed ID: 36372330
[TBL] [Abstract][Full Text] [Related]
20. Traditional and Novel Computer-Aided Drug Design (CADD) Approaches in the Anticancer Drug Discovery Process.
Del Carmen Quintal Bojórquez N; Campos MRS
Curr Cancer Drug Targets; 2023; 23(5):333-345. PubMed ID: 35792126
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]