Detalhe da pesquisa
1.
De novo design of potent and selective mimics of IL-2 and IL-15.
Nature
; 565(7738): 186-191, 2019 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30626941
2.
De novo design of a fluorescence-activating ß-barrel.
Nature
; 561(7724): 485-491, 2018 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-30209393
3.
Acetonitrile real gas phase behavior from quasi-ideal gas to nanodroplets: A microscopical view.
J Chem Phys
; 160(19)2024 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38747938
4.
Shedding light on the metal-phthalocyanine EXAFS spectra through classical and ab initio molecular dynamics.
J Chem Phys
; 158(6): 064110, 2023 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-36792519
5.
A Coupled EXAFS-Molecular Dynamics Study on PuO2+ and NpO2+ Hydration: The Importance of Electron Correlation in Force-Field Building.
Inorg Chem
; 61(23): 8703-8714, 2022 Jun 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-35616567
6.
Hydration of Heavy Alkaline-Earth Cations Studied by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy.
Inorg Chem
; 60(17): 13578-13587, 2021 Sep 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-34387993
7.
Identificación de un brote de SARSCoV-2 (Covid-19) en un centro gerontológico de la Ciudad de México.
Salud Publica Mex
; 63(2, Mar-Abr): 160-162, 2021 Feb 27.
Artigo
em Espanhol
| MEDLINE | ID: mdl-33989476
8.
Combining EXAFS and Computer Simulations to Refine the Structural Description of Actinyls in Water.
Molecules
; 25(22)2020 Nov 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33187172
9.
Hydration Structure of the Elusive Ac(III) Aqua Ion: Interpretation of X-ray Absorption Spectroscopy (XAS) Spectra on the Basis of Molecular Dynamics (MD) Simulations.
Inorg Chem
; 58(4): 2777-2783, 2019 Feb 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-30721038
10.
A general study of actinyl hydration by molecular dynamics simulations using ab initio force fields.
J Chem Phys
; 150(10): 104504, 2019 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30876364
11.
Extracting the Americyl Hydration from an Americium Cationic Mixture in Solution: A Combined X-ray Absorption Spectroscopy and Molecular Dynamics Study.
Inorg Chem
; 57(14): 8089-8097, 2018 Jul 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-29633839
12.
Effect of Basicity on the Hydrolysis of the Bi(III) Aqua Ion in Solution: An Ab Initio Molecular Dynamics Study.
J Phys Chem A
; 122(7): 1905-1915, 2018 Feb 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-29376356
13.
The hydration structure of the heavy-alkalines Rb+ and Cs+ through molecular dynamics and X-ray absorption spectroscopy: surface clusters and eccentricity.
Phys Chem Chem Phys
; 19(42): 28993-29004, 2017 Nov 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29063078
14.
Sarcocystis masoni, n. sp. (Apicomplexa: Sarcocystidae), and redescription of Sarcocystis aucheniae from llama (Lama glama), guanaco (Lama guanicoe) and alpaca (Vicugna pacos).
Parasitology
; 143(5): 617-26, 2016 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-26932444
15.
A hydrated ion model of [UO2]2+ in water: Structure, dynamics, and spectroscopy from classical molecular dynamics.
J Chem Phys
; 145(22): 224502, 2016 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-27984897
16.
Theoretical study on the hydrophobic and hydrophilic hydration on large solutes: The case of phthalocyanines in water.
J Chem Phys
; 143(4): 044502, 2015 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26233140
17.
Effect of the meso-substituent in the Hückel-to-Möbius topological switches.
J Org Chem
; 79(11): 5036-46, 2014 Jun 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-24816245
18.
Collecting high-order interactions in an effective pairwise intermolecular potential using the hydrated ion concept: the hydration of Cf³âº.
J Chem Phys
; 140(21): 214104, 2014 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-24907987
19.
The structural landscape of the immunoglobulin fold by large-scale de novo design.
Protein Sci
; 33(4): e4936, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-38501461
20.
Exploring New Strategies for Optimizing the Production of Poly(3-hydroxybutyrate-co-3-hydroxyvalerate) from Methane and VFAs in Synthetic Cocultures and Mixed Methanotrophic Consortia.
ACS Sustain Chem Eng
; 12(11): 4690-4699, 2024 Mar 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-38516398