Detalhe da pesquisa
1.
Unveiling interatomic distances influencing the reaction coordinates in alanine dipeptide isomerization: An explainable deep learning approach.
J Chem Phys
; 160(17)2024 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38748008
2.
Molecular Design of FRET Probes Based on Domain Rearrangement of Protein Disulfide Isomerase for Monitoring Intracellular Redox Status.
Int J Mol Sci
; 24(16)2023 Aug 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-37629048
3.
Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI).
J Chem Phys
; 156(15): 154108, 2022 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35459300
4.
Opinion: Protein folds vs. protein folding: Differing questions, different challenges.
Proc Natl Acad Sci U S A
; 120(1): e2214423119, 2023 01 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36580595
5.
Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide.
J Chem Phys
; 153(5): 054115, 2020 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32770909
6.
F1-ATPase conformational cycle from simultaneous single-molecule FRET and rotation measurements.
Proc Natl Acad Sci U S A
; 113(21): E2916-24, 2016 May 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-27166420
7.
Elasticity, friction, and pathway of γ-subunit rotation in FoF1-ATP synthase.
Proc Natl Acad Sci U S A
; 112(34): 10720-5, 2015 Aug 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-26261344
8.
Transition path sampling of rare events by shooting from the top.
J Chem Phys
; 147(15): 152716, 2017 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-29055335
9.
Phosphate release coupled to rotary motion of F1-ATPase.
Proc Natl Acad Sci U S A
; 110(41): 16468-73, 2013 Oct 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-24062450
10.
Improvement of the Green-Red Förster Resonance Energy Transfer-Based Ca2+ Indicator by Using the Green Fluorescent Protein, Gamillus, with a Trans Chromophore as the Donor.
ACS Sens
; 9(4): 1743-1748, 2024 Apr 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-38515268
11.
Accelerated Molecular Dynamics and AlphaFold Uncover a Missing Conformational State of Transporter Protein OxlT.
J Phys Chem Lett
; 15(3): 725-732, 2024 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-38215403
12.
Molecular mechanism on forcible ejection of ATPase inhibitory factor 1 from mitochondrial ATP synthase.
Nat Commun
; 14(1): 1682, 2023 03 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-37002198
13.
Structure and mechanism of oxalate transporter OxlT in an oxalate-degrading bacterium in the gut microbiota.
Nat Commun
; 14(1): 1730, 2023 04 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-37012268
14.
Temperature-enhanced association of proteins due to electrostatic interaction: a coarse-grained simulation of actin-myosin binding.
J Am Chem Soc
; 134(21): 8918-25, 2012 May 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-22559201
15.
Paddling mechanism for the substrate translocation by AAA+ motor revealed by multiscale molecular simulations.
Proc Natl Acad Sci U S A
; 106(43): 18237-42, 2009 Oct 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-19828442
16.
Dynamic energy landscape view of coupled binding and protein conformational change: induced-fit versus population-shift mechanisms.
Proc Natl Acad Sci U S A
; 105(32): 11182-7, 2008 Aug 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-18678900
17.
Optimizing Go-MARTINI Coarse-Grained Model for F-BAR Protein on Lipid Membrane.
Front Mol Biosci
; 8: 619381, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-33693028
18.
Chemical-State-Dependent Free Energy Profile from Single-Molecule Trajectories of Biomolecular Motors: Application to Processive Chitinase.
J Phys Chem B
; 124(30): 6475-6487, 2020 07 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-32628485
19.
Crystalline chitin hydrolase is a burnt-bridge Brownian motor.
Biophys Physicobiol
; 17: 51-58, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-33173714
20.
Ion Binding and Selectivity of the Na+/H+ Antiporter MjNhaP1 from Experiment and Simulation.
J Phys Chem B
; 124(2): 336-344, 2020 01 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-31841344