Detalhe da pesquisa
1.
Using High-Throughput Molecular Dynamics Simulation to Enhance the Computational Design of Kemp Elimination Enzymes.
J Chem Inf Model
; 63(4): 1323-1337, 2023 02 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-36782360
2.
Transferability evaluation of the deep potential model for simulating water-graphene confined system.
J Chem Phys
; 159(4)2023 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37522409
3.
Importance of the Subunit-Subunit Interface in Ferritin Disassembly: A Molecular Dynamics Study.
Langmuir
; 38(3): 1106-1113, 2022 01 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-35015545
4.
The role of conformational dynamics in the activity of polymer-conjugated CalB in organic solvents.
Phys Chem Chem Phys
; 24(36): 22028-22037, 2022 Sep 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36069567
5.
The synergistic mechanisms of apo-ferritin structural transitions and Au(iii) ion transportation: molecular dynamics simulations with the Markov state model.
Phys Chem Chem Phys
; 23(32): 17158-17165, 2021 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34318824
6.
A distal regulatory strategy of enzymes: from local to global conformational dynamics.
Phys Chem Chem Phys
; 23(39): 22451-22465, 2021 Oct 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-34585687
7.
Ionic Transport Triggered by Asymmetric Illumination on 2D Nano-Membrane.
Molecules
; 26(23)2021 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-34885657
8.
Light-Powered Directional Nanofluidic Ion Transport in Kirigami-Made Asymmetric Photonic-Ionic Devices.
Small
; 16(1): e1905557, 2020 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31805218
9.
A hybrid theoretical method for predicting electrokinetic energy conversion in nanochannels.
Phys Chem Chem Phys
; 22(16): 9110-9116, 2020 Apr 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-32301460
10.
Single-molecule level dynamic observation of disassembly of the apo-ferritin cage in solution.
Phys Chem Chem Phys
; 22(33): 18562-18572, 2020 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32785391
11.
Highly Efficient Ionic Photocurrent Generation through WS2 -Based 2D Nanofluidic Channels.
Small
; 15(50): e1905355, 2019 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31714020
12.
Molecular dynamics simulations reveal how graphene oxide stabilizes and activates lipase in an anhydrous gas.
Phys Chem Chem Phys
; 21(45): 25425-25430, 2019 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31710319
13.
How Serratia marcescens HB-4 absorbs cadmium and its implication on phytoremediation.
Ecotoxicol Environ Saf
; 185: 109723, 2019 Dec 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31586845
14.
In Situ Oxidation of Cu2O Crystal for Electrochemical Detection of Glucose.
Sensors (Basel)
; 19(13)2019 Jul 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-31269709
15.
A molecular theory for predicting the thermodynamic efficiency of electrokinetic energy conversion in slit nanochannels.
J Chem Phys
; 148(8): 084701, 2018 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-29495756
16.
Markov-state model for CO2 binding with carbonic anhydrase under confinement.
J Chem Phys
; 148(3): 035101, 2018 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-29352785
17.
The Mechanism for siRNA Transmembrane Assisted by PMAL.
Molecules
; 23(7)2018 06 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-29966273
18.
A theoretical study on the morphological phase diagram of supported lipid bilayers.
Phys Chem Chem Phys
; 19(25): 16897-16903, 2017 Jun 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28628167
19.
Kinetics of CO2 diffusion in human carbonic anhydrase: a study using molecular dynamics simulations and the Markov-state model.
Phys Chem Chem Phys
; 19(18): 11690-11697, 2017 May 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-28435964
20.
Spreading of a Unilamellar Liposome on Charged Substrates: A Coarse-Grained Molecular Simulation.
Langmuir
; 32(15): 3785-93, 2016 Apr 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-27019394