Detalhe da pesquisa
1.
Valproic acid interactions with the NavMs voltage-gated sodium channel.
Proc Natl Acad Sci U S A
; 116(52): 26549-26554, 2019 Dec 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-31822620
2.
Delineating the Ligand-Receptor Interactions That Lead to Biased Signaling at the µ-Opioid Receptor.
J Chem Inf Model
; 61(7): 3696-3707, 2021 07 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-34251810
3.
Structure and Function of the Su(H)-Hairless Repressor Complex, the Major Antagonist of Notch Signaling in Drosophila melanogaster.
PLoS Biol
; 14(7): e1002509, 2016 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-27404588
4.
Elabela/Toddler Is an Endogenous Agonist of the Apelin APJ Receptor in the Adult Cardiovascular System, and Exogenous Administration of the Peptide Compensates for the Downregulation of Its Expression in Pulmonary Arterial Hypertension.
Circulation
; 135(12): 1160-1173, 2017 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-28137936
5.
Highly potent and selective NaV1.7 inhibitors for use as intravenous agents and chemical probes.
Bioorg Med Chem Lett
; 27(21): 4805-4811, 2017 11 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29029933
6.
Lateral Fenestrations in K(+)-Channels Explored Using Molecular Dynamics Simulations.
Mol Pharm
; 13(7): 2263-73, 2016 07 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-27173896
7.
Analysis of Differential Efficacy and Affinity of GABAA (α1/α2) Selective Modulators.
Mol Pharm
; 13(11): 4001-4012, 2016 11 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-27704838
8.
A combination of computational and experimental approaches identifies DNA sequence constraints associated with target site binding specificity of the transcription factor CSL.
Nucleic Acids Res
; 42(16): 10550-63, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-25114055
9.
Prediction of cytochrome P450 xenobiotic metabolism: tethered docking and reactivity derived from ligand molecular orbital analysis.
J Chem Inf Model
; 53(6): 1294-305, 2013 Jun 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-23701380
10.
Critical Assessment of State-of-the-Art Ligand-Based Virtual Screening Methods.
Mol Inform
; 41(11): e2200103, 2022 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35871608
11.
Investigating dynamic and energetic determinants of protein nucleic acid recognition: analysis of the zinc finger zif268-DNA complexes.
BMC Struct Biol
; 10: 42, 2010 Nov 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-21106075
12.
Cosolvent-Enhanced Sampling and Unbiased Identification of Cryptic Pockets Suitable for Structure-Based Drug Design.
J Chem Theory Comput
; 15(5): 3331-3343, 2019 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30998331
13.
Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow.
ACS Med Chem Lett
; 10(4): 487-492, 2019 Apr 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-30996784
14.
DeltaDelta neural networks for lead optimization of small molecule potency.
Chem Sci
; 10(47): 10911-10918, 2019 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32190246
15.
Network-Based Drug Discovery: Coupling Network Pharmacology with Phenotypic Screening for Neuronal Excitability.
J Mol Biol
; 430(18 Pt A): 3005-3015, 2018 09 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30030026
16.
An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure
; 26(4): 533-544.e3, 2018 04 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-29576321
17.
Residues W320 and Y328 within the binding site of the µ-opioid receptor influence opiate ligand bias.
Neuropharmacology
; 118: 46-58, 2017 05 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28283391
18.
Ensemble- and Rigidity Theory-Based Perturbation Approach To Analyze Dynamic Allostery.
J Chem Theory Comput
; 13(12): 6343-6357, 2017 Dec 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-29112408
19.
Discovery of Compounds that Positively Modulate the High Affinity Choline Transporter.
Front Mol Neurosci
; 10: 40, 2017.
Artigo
em Inglês
| MEDLINE | ID: mdl-28289374
20.
Design, characterization, and first-in-human study of the vascular actions of a novel biased apelin receptor agonist.
Hypertension
; 65(4): 834-40, 2015 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-25712721