Detalhe da pesquisa
1.
Gluten Exorphins Promote Cell Proliferation through the Activation of Mitogenic and Pro-Survival Pathways.
Int J Mol Sci
; 24(4)2023 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36835317
2.
A Machine Learning Approach for the Discovery of Ligand-Specific Functional Mechanisms of GPCRs.
Molecules
; 24(11)2019 Jun 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-31159491
3.
Swe1Wee1-dependent tyrosine phosphorylation of Hsp90 regulates distinct facets of chaperone function.
Mol Cell
; 37(3): 333-43, 2010 Feb 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-20159553
4.
Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines.
Chemistry
; 23(9): 2051-2058, 2017 Feb 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-27806188
5.
Structural Stability and Flexibility Direct the Selection of Activating Mutations in Epidermal Growth Factor Receptor Kinase.
J Chem Inf Model
; 55(7): 1377-87, 2015 Jul 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-26121158
6.
Protein and lipid interactions driving molecular mechanisms of in meso crystallization.
J Am Chem Soc
; 136(8): 3271-84, 2014 Feb 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-24494670
7.
Corresponding functional dynamics across the Hsp90 Chaperone family: insights from a multiscale analysis of MD simulations.
PLoS Comput Biol
; 8(3): e1002433, 2012.
Artigo
em Inglês
| MEDLINE | ID: mdl-22457611
8.
Molecular mechanism of allosteric communication in Hsp70 revealed by molecular dynamics simulations.
PLoS Comput Biol
; 8(12): e1002844, 2012.
Artigo
em Inglês
| MEDLINE | ID: mdl-23300424
9.
Inhibition of the RNA-Dependent RNA-Polymerase from SARS-CoV-2 by 6-Chloropurine Isoxazoline-Carbocyclic Monophosphate Nucleotides.
ACS Omega
; 8(39): 36311-36320, 2023 Oct 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-37810686
10.
Cholesterol occupies the lipid translocation pathway to block phospholipid scrambling by a G protein-coupled receptor.
Structure
; 30(8): 1208-1217.e2, 2022 08 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35660161
11.
Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution.
Proc Natl Acad Sci U S A
; 105(23): 7976-81, 2008 Jun 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-18511558
12.
Predicting interaction sites from the energetics of isolated proteins: a new approach to epitope mapping.
Biophys J
; 98(9): 1966-75, 2010 May 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-20441761
13.
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors.
Biochemistry
; 49(19): 4283-95, 2010 May 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-20415450
14.
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
15.
Modeling signal propagation mechanisms and ligand-based conformational dynamics of the Hsp90 molecular chaperone full-length dimer.
PLoS Comput Biol
; 5(3): e1000323, 2009 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-19300478
16.
Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins.
J Chem Theory Comput
; 16(9): 5960-5971, 2020 Sep 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-32693598
17.
The Answer Lies in the Energy: How Simple Atomistic Molecular Dynamics Simulations May Hold the Key to Epitope Prediction on the Fully Glycosylated SARS-CoV-2 Spike Protein.
J Phys Chem Lett
; 11(19): 8084-8093, 2020 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32885971
18.
Tryptophan scanning mutagenesis as a way to mimic the compound-bound state and probe the selectivity of allosteric inhibitors in cells.
Chem Sci
; 11(7): 1892-1904, 2020 Jan 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34123282
19.
Allosteric Modulators of HSP90 and HSP70: Dynamics Meets Function through Structure-Based Drug Design.
J Med Chem
; 62(1): 60-87, 2019 01 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-30048133
20.
Investigating the mechanism of peptide aggregation: insights from mixed monte carlo-molecular dynamics simulations.
Biophys J
; 94(11): 4414-26, 2008 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-18263661