These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
110 related articles for article (PubMed ID: 35452636)
21. Comparative modeling and dynamic simulation of UDP-N-acetylmuramoyl-alanine ligase (MurC) from Mycobacterium tuberculosis through virtual screening and toxicity analysis. Isa MA Life Sci; 2020 Dec; 262():118466. PubMed ID: 32961233 [TBL] [Abstract][Full Text] [Related]
22. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations. Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817 [TBL] [Abstract][Full Text] [Related]
23. Identification of Novel Potential gp120 of HIV-1 Antagonist Using Per-Residue Energy Contribution-Based Pharmacophore modelling. Berinyuy E; Soliman MES Interdiscip Sci; 2017 Sep; 9(3):406-418. PubMed ID: 27165479 [TBL] [Abstract][Full Text] [Related]
24. Identification of novel Plasmodium falciparum PI4KB inhibitors as potential anti-malarial drugs: Homology modeling, molecular docking and molecular dynamics simulations. Ibrahim MAA; Abdelrahman AHM; Hassan AMA Comput Biol Chem; 2019 Jun; 80():79-89. PubMed ID: 30928871 [TBL] [Abstract][Full Text] [Related]
25. Structure prediction and molecular dynamics simulations of a G-protein coupled receptor: human CCR2 receptor. Singh R; Sobhia ME J Biomol Struct Dyn; 2013; 31(7):694-715. PubMed ID: 22909007 [TBL] [Abstract][Full Text] [Related]
26. Computational modeling of human coreceptor CCR5 antagonist as a HIV-1 entry inhibitor: using an integrated homology modeling, docking, and membrane molecular dynamics simulation analysis approach. Gadhe CG; Kothandan G; Cho SJ J Biomol Struct Dyn; 2013; 31(11):1251-76. PubMed ID: 23153179 [TBL] [Abstract][Full Text] [Related]
27. Rational design, chemical synthesis and biological evaluation of novel biguanides exploring species-specificity responsiveness of TAAR1 agonists. Guariento S; Tonelli M; Espinoza S; Gerasimov AS; Gainetdinov RR; Cichero E Eur J Med Chem; 2018 Feb; 146():171-184. PubMed ID: 29407948 [TBL] [Abstract][Full Text] [Related]
28. Mutagenesis of DsbAss is Crucial for the Signal Recognition Particle Mechanism in Durrani FG; Gul R; Mirza MU; Kaderbhai NN; Froeyen M; Saleem M Biomolecules; 2019 Apr; 9(4):. PubMed ID: 30987187 [TBL] [Abstract][Full Text] [Related]
29. Some insights into the binding mechanism of the GABAA receptor: a combined docking and MM-GBSA study. Xie HB; Sha Y; Wang J; Cheng MS J Mol Model; 2013 Dec; 19(12):5489-500. PubMed ID: 24241181 [TBL] [Abstract][Full Text] [Related]
30. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors. Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133 [TBL] [Abstract][Full Text] [Related]
31. Identification of anti-filarial leads against aspartate semialdehyde dehydrogenase of Wolbachia endosymbiont of Brugia malayi: combined molecular docking and molecular dynamics approaches. Amala M; Rajamanikandan S; Prabhu D; Surekha K; Jeyakanthan J J Biomol Struct Dyn; 2019 Feb; 37(2):394-410. PubMed ID: 29334340 [TBL] [Abstract][Full Text] [Related]
32. Hit-to-Lead Optimization of Mouse Trace Amine Associated Receptor 1 (mTAAR1) Agonists with a Diphenylmethane-Scaffold: Design, Synthesis, and Biological Study. Chiellini G; Nesi G; Sestito S; Chiarugi S; Runfola M; Espinoza S; Sabatini M; Bellusci L; Laurino A; Cichero E; Gainetdinov RR; Fossa P; Raimondi L; Zucchi R; Rapposelli S J Med Chem; 2016 Nov; 59(21):9825-9836. PubMed ID: 27731647 [TBL] [Abstract][Full Text] [Related]
33. Computational study of the binding mechanism between farnesoid X receptor α and antagonist N-benzyl-N-(3-(tertbutyl)-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino) benzamide. Du J; Qiu M; Guo L; Yao X J Biomol Struct Dyn; 2019 Apr; 37(6):1628-1640. PubMed ID: 29633919 [TBL] [Abstract][Full Text] [Related]
34. Structural and energetic insight into the interactions between the benzolactam inhibitors and tumor marker HSP90α. Guo XY; Qi RP; Xu DG; Liu XH; Yang X Comput Biol Chem; 2015 Oct; 58():182-91. PubMed ID: 26256798 [TBL] [Abstract][Full Text] [Related]
35. Taar1-mediated modulation of presynaptic dopaminergic neurotransmission: role of D2 dopamine autoreceptors. Leo D; Mus L; Espinoza S; Hoener MC; Sotnikova TD; Gainetdinov RR Neuropharmacology; 2014 Jun; 81():283-91. PubMed ID: 24565640 [TBL] [Abstract][Full Text] [Related]
36. Identifying novel inhibitor of quorum sensing transcriptional regulator (SdiA) of Ahmed MZ; Muteeb G; Khan S; Alqahtani AS; Somvanshi P; Alqahtani MS; Ameta KL; Haque S J Biomol Struct Dyn; 2021 Jul; 39(10):3594-3604. PubMed ID: 32401149 [TBL] [Abstract][Full Text] [Related]
37. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease. Iqbal S; Anantha Krishnan D; Gunasekaran K J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053 [TBL] [Abstract][Full Text] [Related]
39. Analysis of vismodegib resistance in D473G and W535L mutants of SMO receptor and design of novel drug derivatives using molecular dynamics simulations. Liao S; Floyd C; Verratti N; Leung L; Wu C Life Sci; 2020 Mar; 244():117302. PubMed ID: 31953165 [TBL] [Abstract][Full Text] [Related]