Detalhe da pesquisa
1.
Molecular basis for the initiation of DNA primer synthesis.
Nature;
605(7911): 767-773, 2022 05.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35508653
2.
Impact of Remdesivir Incorporation along the Primer Strand on SARS-CoV-2 RNA-Dependent RNA Polymerase.
J Chem Inf Model;
62(10): 2456-2465, 2022 05 23.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35435671
3.
Improvement of the Gaussian Electrostatic Model by separate fitting of Coulomb and exchange-repulsion densities and implementation of a new dispersion term.
J Chem Phys;
155(19): 194103, 2021 Nov 21.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34800949
4.
Importance of explicit smeared lone-pairs in anisotropic polarizable molecular mechanics. Torture track angular tests for exchange-repulsion and charge transfer contributions.
J Comput Chem;
38(22): 1897-1920, 2017 08 15.
Artigo
em Inglês
| MEDLINE
| ID: mdl-28558168
5.
Development of the Quantum-Inspired SIBFA Many-Body Polarizable Force Field: Enabling Condensed-Phase Molecular Dynamics Simulations.
J Chem Theory Comput;
18(6): 3607-3621, 2022 Jun 14.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35575306
6.
Development and application of quantum mechanics/molecular mechanics methods with advanced polarizable potentials.
Wiley Interdiscip Rev Comput Mol Sci;
11(4)2021.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34367343
7.
Assessment of SAPT and Supermolecular EDA Approaches for the Development of Separable and Polarizable Force Fields.
J Chem Theory Comput;
17(5): 2759-2774, 2021 May 11.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33877844
8.
Channeling through Two Stacked Guanine Quartets of One and Two Alkali Cations in the Li+, Na+, K+, and Rb+ Series. Assessment of the Accuracy of the SIBFA Anisotropic Polarizable Molecular Mechanics Potential.
J Phys Chem B;
121(16): 3997-4014, 2017 04 27.
Artigo
em Inglês
| MEDLINE
| ID: mdl-28363025