Detalhe da pesquisa
1.
Mapping Mechanostable Pulling Geometries of a Therapeutic Anticalin/CTLA-4 Protein Complex.
Nano Lett;
22(1): 179-187, 2022 01 12.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34918516
2.
Molecular Insight into the Self-Assembly Process of Cellulose Iß Microfibril.
Int J Mol Sci;
23(15)2022 Jul 31.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35955639
3.
Martini 3 Model of Cellulose Microfibrils: On the Route to Capture Large Conformational Changes of Polysaccharides.
Molecules;
27(3)2022 Feb 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35164241
4.
On the separability of the extended molecule: Constructing the best localized molecular orbitals for an organic molecule bridging two model electrodes.
J Chem Phys;
141(12): 124712, 2014 Sep 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-25273466
5.
Single-Molecule Investigation of the Binding Interface Stability of SARS-CoV-2 Variants with ACE2.
ACS Nanosci Au;
4(2): 136-145, 2024 Apr 17.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38644967
6.
Assessing the Stability of Biological Fibrils by Molecular-Scale Simulations.
Methods Mol Biol;
2340: 357-378, 2022.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35167082
7.
Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants.
Nat Commun;
12(1): 6977, 2021 11 30.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34848718
8.
Quantitative determination of mechanical stability in the novel coronavirus spike protein.
Nanoscale;
12(31): 16409-16413, 2020 Aug 21.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32725017
9.
Characterization of Structural and Energetic Differences between Conformations of the SARS-CoV-2 Spike Protein.
Materials (Basel);
13(23)2020 Nov 26.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33255977
10.
Energy Gaps of Polyradicals from an Effective and Transferable Hamiltonian with through-Bond Interactions.
J Chem Theory Comput;
14(1): 1-8, 2018 Jan 09.
Artigo
em Inglês
| MEDLINE
| ID: mdl-29202223