Detalhe da pesquisa
1.
Evaluating the performance of MM/PBSA for binding affinity prediction using class A GPCR crystal structures.
J Comput Aided Mol Des
; 33(5): 487-496, 2019 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-30989574
2.
Development and Validation of Decision Forest Model for Estrogen Receptor Binding Prediction of Chemicals Using Large Data Sets.
Chem Res Toxicol
; 28(12): 2343-51, 2015 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26524122
3.
Molecular dynamics simulations of the adenosine A2a receptor in POPC and POPE lipid bilayers: effects of membrane on protein behavior.
J Chem Inf Model
; 54(2): 573-81, 2014 Feb 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-24460123
4.
Flavonoids with M1 muscarinic acetylcholine receptor binding activity.
Molecules
; 19(7): 8933-48, 2014 Jun 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-24979399
5.
Conversion of a non-selective adenosine receptor antagonist into A3-selective high affinity fluorescent probes using peptide-based linkers.
Org Biomol Chem
; 11(34): 5673-82, 2013 Sep 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-23881285
6.
Molecular dynamics simulations of the adenosine A2a receptor: structural stability, sampling, and convergence.
J Chem Inf Model
; 53(5): 1168-78, 2013 May 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-23514445
7.
In vitro functional evaluation of isolaureline, dicentrine and glaucine enantiomers at 5-HT2 and α1 receptors.
Chem Biol Drug Des
; 93(2): 132-138, 2019 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-30216681
8.
Assessing GPCR homology models constructed from templates of various transmembrane sequence identities: Binding mode prediction and docking enrichment.
J Mol Graph Model
; 80: 38-47, 2018 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-29306746
9.
Synthesis and evaluation of nuciferine and roemerine enantiomers as 5-HT2 and α1 receptor antagonists.
Medchemcomm
; 9(3): 576-582, 2018 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30108948
10.
Correction: Synthesis and evaluation of nuciferine and roemerine enantiomers as 5-HT2 and α1 receptor antagonists.
Medchemcomm
; 9(3): 593-594, 2018 03 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30288212
11.
Inhibition of cobalamin-dependent methionine synthase by substituted benzo-fused heterocycles.
FEBS J
; 274(1): 287-99, 2007 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-17222188
12.
Modelling the restoration of wild-type dynamic behaviour in DeltaF508-CFTR NBD1 by 8-cyclopentyl-1,3-dipropylxanthine.
J Mol Graph Model
; 26(3): 691-9, 2007 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-17531517
13.
Crystallization and preliminary X-ray characterization of the Bacillus amyloliquefaciens YwrO enzyme.
Acta Crystallogr Sect F Struct Biol Cryst Commun
; 63(Pt 9): 746-50, 2007 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-17768344
14.
A dual-application poly (dl-lactic-co-glycolic) acid (PLGA)-chitosan composite scaffold for potential use in bone tissue engineering.
J Biomater Sci Polym Ed
; 28(16): 1966-1983, 2017 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-28777694
15.
Binding of the anticancer prodrug CB1954 to the activating enzyme NQO2 revealed by the crystal structure of their complex.
J Med Chem
; 48(24): 7714-9, 2005 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-16302811
16.
Physicomechanical properties of sintered scaffolds formed from porous and protein-loaded poly(DL-lactic-co-glycolic acid) microspheres for potential use in bone tissue engineering.
J Biomater Sci Polym Ed
; 26(12): 796-811, 2015.
Artigo
em Inglês
| MEDLINE | ID: mdl-26065672
17.
Toward activated homology models of the human M1 muscarinic acetylcholine receptor.
J Mol Graph Model
; 49: 91-8, 2014 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-24631873
18.
The influence of substituted phenols on the sol:gel transition of hydroxypropyl methylcellulose (HPMC) aqueous solutions.
Carbohydr Polym
; 101: 1198-204, 2014 Jan 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-24299892
19.
Structure-based identification of aporphines with selective 5-HT(2A) receptor-binding activity.
Chem Biol Drug Des
; 81(2): 250-6, 2013 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-23039820
20.
Homology modeling of the human 5-HT1A, 5-HT 2A, D1, and D2 receptors: model refinement with molecular dynamics simulations and docking evaluation.
J Mol Model
; 18(8): 3639-55, 2012 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-22354276