Detalhe da pesquisa
1.
Predictive understanding of the surface tension and velocity of sound in ionic liquids using machine learning.
J Chem Phys
; 158(21)2023 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-37260016
2.
Deconstruction of biomass enabled by local demixing of cosolvents at cellulose and lignin surfaces.
Proc Natl Acad Sci U S A
; 117(29): 16776-16781, 2020 07 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32636260
3.
A Multifunctional Cosolvent Pair Reveals Molecular Principles of Biomass Deconstruction.
J Am Chem Soc
; 141(32): 12545-12557, 2019 08 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-31304747
4.
Relationship between lignocellulosic biomass dissolution and physicochemical properties of ionic liquids composed of 3-methylimidazolium cations and carboxylate anions.
Phys Chem Chem Phys
; 20(4): 2508-2516, 2018 Jan 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-29313537
5.
Modeling of the Passive Permeation of Mercury and Methylmercury Complexes Through a Bacterial Cytoplasmic Membrane.
Environ Sci Technol
; 51(18): 10595-10604, 2017 09 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-28806072
6.
Local Phase Separation of Co-solvents Enhances Pretreatment of Biomass for Bioenergy Applications.
J Am Chem Soc
; 138(34): 10869-78, 2016 08 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-27482599
7.
Enhanced sampling simulation analysis of the structure of lignin in the THF-water miscibility gap.
Phys Chem Chem Phys
; 18(9): 6394-8, 2016 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26862597
8.
Force-Field Induced Bias in the Structure of Aß21-30: A Comparison of OPLS, AMBER, CHARMM, and GROMOS Force Fields.
J Chem Inf Model
; 55(12): 2587-95, 2015 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26629886
9.
Spontaneous dimer states of the Aß(21-30) decapeptide.
Phys Chem Chem Phys
; 16(26): 13069-73, 2014 Jul 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-24888358
10.
Drugging the entire human proteome: Are we there yet?
Drug Discov Today
; 29(3): 103891, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-38246414
11.
Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents.
J Chem Theory Comput
; 20(9): 3911-3926, 2024 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38387055
12.
Amantadine interactions with phase separated lipid membranes.
Chem Phys Lipids
; 262: 105397, 2024 May 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38740276
13.
Ambient-densified and polymer-free transparent wood film for smart food packaging window.
iScience
; 26(12): 108455, 2023 Dec 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38077126
14.
Genetic interactions between Polycystin-1 and TAZ in osteoblasts define a novel mechanosensing mechanism regulating bone formation in mice.
Res Sq
; 2023 May 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-37398127
15.
Genetic interactions between polycystin-1 and Wwtr1 in osteoblasts define a novel mechanosensing mechanism regulating bone formation in mice.
Bone Res
; 11(1): 57, 2023 10 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-37884491
16.
SARS-CoV2 billion-compound docking.
Sci Data
; 10(1): 173, 2023 03 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36977690
17.
Dissecting Phenotype from Genotype with Clinical Isolates of SARS-CoV-2 First Wave Variants.
Viruses
; 15(3)2023 02 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36992320
18.
Tuning Proton Transfer Thermodynamics in SARS-CoV-2 Main Protease: Implications for Catalysis and Inhibitor Design.
J Phys Chem Lett
; 12(17): 4195-4202, 2021 May 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-33900080
19.
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease.
Chem Sci
; 12(4): 1513-1527, 2021 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-35356437
20.
Effects of sodium and calcium chloride ionic stresses on model yeast membranes revealed by molecular dynamics simulation.
Chem Phys Lipids
; 233: 104980, 2020 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33038307