Detalhe da pesquisa
1.
A Non-canonical Voltage-Sensing Mechanism Controls Gating in K2P K(+) Channels.
Cell
; 164(5): 937-49, 2016 Feb 25.
Artigo
Inglês
| MEDLINE | ID: mdl-26919430
2.
Mechanisms of anion conduction by coupled glutamate transporters.
Cell
; 160(3): 542-53, 2015 Jan 29.
Artigo
Inglês
| MEDLINE | ID: mdl-25635461
3.
Visualization of the mechanosensitive ion channel MscS under membrane tension.
Nature
; 590(7846): 509-514, 2021 02.
Artigo
Inglês
| MEDLINE | ID: mdl-33568813
4.
Molecular basis for human aquaporin inhibition.
Proc Natl Acad Sci U S A
; 121(7): e2319682121, 2024 Feb 13.
Artigo
Inglês
| MEDLINE | ID: mdl-38319972
5.
Molecular dynamics simulations reveal the importance of amyloid-beta oligomer ß-sheet edge conformations in membrane permeabilization.
J Biol Chem
; 299(4): 103034, 2023 04.
Artigo
Inglês
| MEDLINE | ID: mdl-36806684
6.
Resolving coupled pH titrations using alchemical free energy calculations.
J Comput Chem
; 45(17): 1444-1455, 2024 Jun 30.
Artigo
Inglês
| MEDLINE | ID: mdl-38471815
7.
A ß-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL.
Proc Natl Acad Sci U S A
; 117(35): 21014-21021, 2020 09 01.
Artigo
Inglês
| MEDLINE | ID: mdl-32817429
8.
Direct Detection of Bound Ammonium Ions in the Selectivity Filter of Ion Channels by Solid-State NMR.
J Am Chem Soc
; 144(9): 4147-4157, 2022 03 09.
Artigo
Inglês
| MEDLINE | ID: mdl-35200002
9.
Structural basis for antibiotic action of the B1 antivitamin 2'-methoxy-thiamine.
Nat Chem Biol
; 16(11): 1237-1245, 2020 11.
Artigo
Inglês
| MEDLINE | ID: mdl-32839604
10.
GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design.
J Chem Inf Model
; 62(7): 1691-1711, 2022 04 11.
Artigo
Inglês
| MEDLINE | ID: mdl-35353508
11.
Pre-Exascale Computing of Protein-Ligand Binding Free Energies with Open Source Software for Drug Design.
J Chem Inf Model
; 62(5): 1172-1177, 2022 03 14.
Artigo
Inglês
| MEDLINE | ID: mdl-35191702
12.
Conotoxin κM-RIIIJ, a tool targeting asymmetric heteromeric Kv1 channels.
Proc Natl Acad Sci U S A
; 116(3): 1059-1064, 2019 01 15.
Artigo
Inglês
| MEDLINE | ID: mdl-30593566
13.
Lipid-protein forces predict conformational changes in a mechanosensitive channel.
Eur Biophys J
; 50(2): 181-186, 2021 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-33355710
14.
Structure, gating and interactions of the voltage-dependent anion channel.
Eur Biophys J
; 50(2): 159-172, 2021 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-33782728
15.
Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software.
J Comput Aided Mol Des
; 35(1): 49-61, 2021 01.
Artigo
Inglês
| MEDLINE | ID: mdl-33230742
16.
Non-active site mutants of HIV-1 protease influence resistance and sensitisation towards protease inhibitors.
Retrovirology
; 17(1): 13, 2020 05 19.
Artigo
Inglês
| MEDLINE | ID: mdl-32430025
17.
Enhancing NMR derived ensembles with kinetics on multiple timescales.
J Biomol NMR
; 74(1): 27-43, 2020 Jan.
Artigo
Inglês
| MEDLINE | ID: mdl-31838619
18.
CHARMM36m: an improved force field for folded and intrinsically disordered proteins.
Nat Methods
; 14(1): 71-73, 2017 01.
Artigo
Inglês
| MEDLINE | ID: mdl-27819658
19.
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.
J Comput Aided Mol Des
; 34(5): 601-633, 2020 05.
Artigo
Inglês
| MEDLINE | ID: mdl-31984465
20.
Lipid Bilayer Composition Influences the Activity of the Antimicrobial Peptide Dermcidin Channel.
Biophys J
; 116(9): 1658-1666, 2019 05 07.
Artigo
Inglês
| MEDLINE | ID: mdl-31010668