Detalhe da pesquisa
1.
Comparing the influence of explicit and implicit solvation models on site-specific thermodynamic stability of proteins.
J Comput Chem
; 44(25): 1976-1985, 2023 09 30.
Artigo
Inglês
| MEDLINE | ID: mdl-37352129
2.
Selectively Enhanced Electrocatalytic Oxygen Evolution within Nanoscopic Channels Fitting a Specific Reaction Intermediate for Seawater Splitting.
Small
; 19(11): e2206918, 2023 Mar.
Artigo
Inglês
| MEDLINE | ID: mdl-36567426
3.
Graphene Quantum Dots Alleviate Impaired Functions in Niemann-Pick Disease Type C in Vivo.
Nano Lett
; 21(5): 2339-2346, 2021 03 10.
Artigo
Inglês
| MEDLINE | ID: mdl-33472003
4.
Electron Attachment to the (O2···CO2) van der Waals Complex Results in a Monomeric Anion (O2-CO2)-, a Possible Form of CO4.
J Phys Chem A
; 125(26): 5794-5799, 2021 Jul 08.
Artigo
Inglês
| MEDLINE | ID: mdl-34184897
5.
Control defeasance by anti-alignment in the excited state.
Phys Chem Chem Phys
; 21(42): 23620-23625, 2019 Nov 14.
Artigo
Inglês
| MEDLINE | ID: mdl-31624812
6.
Grid-Based Ehrenfest Model To Study Electron-Nuclear Processes.
J Phys Chem A
; 123(32): 7171-7176, 2019 Aug 15.
Artigo
Inglês
| MEDLINE | ID: mdl-31314529
7.
Conformational sampling of metastable states: Tq-REM as a novel replica exchange method.
Phys Chem Chem Phys
; 19(7): 5454-5464, 2017 Feb 15.
Artigo
Inglês
| MEDLINE | ID: mdl-28165074
8.
Site-dependent effects of methylation on the electronic spectra of jet-cooled methylated xanthine compounds.
Phys Chem Chem Phys
; 19(33): 22375-22384, 2017 Aug 23.
Artigo
Inglês
| MEDLINE | ID: mdl-28805861
9.
Geometrical Optimization Approach to Isomerization: Models and Limitations.
J Phys Chem A
; 121(43): 8280-8287, 2017 Nov 02.
Artigo
Inglês
| MEDLINE | ID: mdl-28994591
10.
"Stirred, Not Shaken": Vibrational Coherence Can Speed Up Electronic Absorption.
J Phys Chem A
; 119(34): 9091-7, 2015 Aug 27.
Artigo
Inglês
| MEDLINE | ID: mdl-26258552
11.
Multiscale modeling of macromolecular biosystems.
Brief Bioinform
; 13(4): 395-405, 2012 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-22228511
12.
Statistical torsion angle potential energy functions for protein structure modeling: a bicubic interpolation approach.
Proteins
; 81(7): 1156-65, 2013 Jul.
Artigo
Inglês
| MEDLINE | ID: mdl-23408564
13.
Two-pulse control of large-amplitude vibrations in H2(+).
Chemphyschem
; 14(7): 1405-12, 2013 May 10.
Artigo
Inglês
| MEDLINE | ID: mdl-23494964
14.
Ultrafast coherent control of giant oscillating molecular dipoles in the presence of static electric fields.
J Chem Phys
; 139(8): 084306, 2013 Aug 28.
Artigo
Inglês
| MEDLINE | ID: mdl-24006996
15.
In silico investigation of the structural stability as the origin of the pathogenicity of α-synuclein protofibrils.
J Biomol Struct Dyn
; 41(23): 14103-14115, 2023.
Artigo
Inglês
| MEDLINE | ID: mdl-37036430
16.
Two-qubit atomic gates: spatio-temporal control of Rydberg interaction.
Nanoscale
; 15(9): 4325-4333, 2023 Mar 02.
Artigo
Inglês
| MEDLINE | ID: mdl-36752322
17.
A simplified homology-model builder toward highly protein-like structures: an inspection of restraining potentials.
J Comput Chem
; 33(24): 1927-35, 2012 Sep 15.
Artigo
Inglês
| MEDLINE | ID: mdl-22648914
18.
Ultrafast control of the internuclear distance with parabolic chirped pulses.
J Phys Chem A
; 116(11): 2691-7, 2012 Mar 22.
Artigo
Inglês
| MEDLINE | ID: mdl-22082170
19.
Relativistic potential energy surfaces of initial oxidations of Si(100) by atomic oxygen: the importance of surface dimer triplet state.
J Chem Phys
; 136(21): 214704, 2012 Jun 07.
Artigo
Inglês
| MEDLINE | ID: mdl-22697563
20.
Mutation effects on FAS1 domain 4 based on structure and solubility.
Biochim Biophys Acta Proteins Proteom
; 1870(3): 140746, 2022 03 01.
Artigo
Inglês
| MEDLINE | ID: mdl-34942360