Detalhe da pesquisa
1.
Inverse Conformational Selection in Lipid-Protein Binding.
J Am Chem Soc
; 143(34): 13701-13709, 2021 09 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34465095
2.
Atomistic and Coarse Grain Simulations of the Cell Envelope of Gram-Negative Bacteria: What Have We Learned?
Acc Chem Res
; 52(1): 180-188, 2019 01 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30562009
3.
Braun's Lipoprotein Facilitates OmpA Interaction with the Escherichia coli Cell Wall.
Biophys J
; 113(7): 1496-1504, 2017 Oct 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-28978443
4.
Full-Length OmpA: Structure, Function, and Membrane Interactions Predicted by Molecular Dynamics Simulations.
Biophys J
; 111(8): 1692-1702, 2016 Oct 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-27760356
5.
Interaction of the antimicrobial peptide polymyxin B1 with both membranes of E. coli: a molecular dynamics study.
PLoS Comput Biol
; 11(4): e1004180, 2015 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-25885324
6.
The NorM MATE transporter from N. gonorrhoeae: insights into drug and ion binding from atomistic molecular dynamics simulations.
Biophys J
; 107(2): 460-468, 2014 Jul 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-25028887
7.
The structural basis for endotoxin-induced allosteric regulation of the Toll-like receptor 4 (TLR4) innate immune receptor.
J Biol Chem
; 288(51): 36215-25, 2013 Dec 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-24178299
8.
Conformational dynamics and membrane interactions of the E. coli outer membrane protein FecA: a molecular dynamics simulation study.
Biochim Biophys Acta
; 1828(2): 284-93, 2013 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-22960041
9.
Stability and membrane interactions of an autotransport protein: MD simulations of the Hia translocator domain in a complex membrane environment.
Biochim Biophys Acta
; 1828(2): 715-23, 2013 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-22982599
10.
Overlay databank unlocks data-driven analyses of biomolecules for all.
Nat Commun
; 15(1): 1136, 2024 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38326316
11.
Single-stranded DNA within nanopores: conformational dynamics and implications for sequencing; a molecular dynamics simulation study.
Biophys J
; 103(5): 1028-36, 2012 Sep 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-23009852
12.
Toward a detailed description of the pathways of allosteric communication in the GroEL chaperonin through atomistic simulation.
Biochemistry
; 51(8): 1707-18, 2012 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-22289022
13.
Molecular Dynamics Simulation of the Interaction of Two Linear Battacin Analogs with Model Gram-Positive and Gram-Negative Bacterial Cell Membranes.
ACS Omega
; 6(1): 388-400, 2021 Jan 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33458490
14.
Molecular determinants of binding of non-oxime bispyridinium nerve agent antidote compounds to the adult muscle nAChR.
Toxicol Lett
; 340: 114-122, 2021 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33482275
15.
Stability and membrane orientation of the fukutin transmembrane domain: a combined multiscale molecular dynamics and circular dichroism study.
Biochemistry
; 49(51): 10796-802, 2010 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-21105749
16.
Molecular Dynamics Simulation of Proteins.
Methods Mol Biol
; 2073: 311-327, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-31612449
17.
Headgroup Structure and Cation Binding in Phosphatidylserine Lipid Bilayers.
J Phys Chem B
; 123(43): 9066-9079, 2019 10 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-31574222
18.
Evidence for phospholipid export from the bacterial inner membrane by the Mla ABC transport system.
Nat Microbiol
; 4(10): 1692-1705, 2019 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-31235958
19.
A Thermodynamic Funnel Drives Bacterial Lipopolysaccharide Transfer in the TLR4 Pathway.
Structure
; 26(8): 1151-1161.e4, 2018 08 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-29779787
20.
On the Calculation of Acyl Chain Order Parameters from Lipid Simulations.
J Chem Theory Comput
; 13(11): 5683-5696, 2017 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-28876925