Detalhe da pesquisa
1.
Atomistic Simulations of Polydisperse Lignin Melts Using Simple Polydisperse Residue Input Generator.
Biomacromolecules
; 25(2): 767-777, 2024 Feb 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-38157547
2.
Water molecule ordering on the surface of an intrinsically disordered protein.
Biophys J
; 122(22): 4326-4335, 2023 11 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37838830
3.
Disordered Domain Shifts the Conformational Ensemble of the Folded Regulatory Domain of the Multidomain Oncoprotein c-Src.
Biomacromolecules
; 24(2): 714-723, 2023 02 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36692364
4.
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
5.
Identification of Small-Molecule Inhibitors of Fibroblast Growth Factor 23 Signaling via In Silico Hot Spot Prediction and Molecular Docking to α-Klotho.
J Chem Inf Model
; 62(15): 3627-3637, 2022 08 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35868851
6.
Dynamic odd-even effect in n-alkane systems: a molecular dynamics study.
Phys Chem Chem Phys
; 24(46): 28403-28410, 2022 Nov 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-36398692
7.
Generation of the configurational ensemble of an intrinsically disordered protein from unbiased molecular dynamics simulation.
Proc Natl Acad Sci U S A
; 116(41): 20446-20452, 2019 10 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-31548393
8.
Novel Small Molecule Fibroblast Growth Factor 23 Inhibitors Increase Serum Phosphate and Improve Skeletal Abnormalities in Hyp Mice.
Mol Pharmacol
; 101(6): 408-421, 2021 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35339985
9.
Mesophilic Pyrophosphatase Function at High Temperature: A Molecular Dynamics Simulation Study.
Biophys J
; 119(1): 142-150, 2020 07 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32533942
10.
An Atomistic Molecular Dynamics Study of Titanium Dioxide Adhesion to Lipid Bilayers.
Langmuir
; 36(4): 1043-1052, 2020 02 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-31944772
11.
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
12.
Dynamics of the lignin glass transition.
Phys Chem Chem Phys
; 20(31): 20504-20512, 2018 Aug 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-30046795
13.
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
14.
A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers.
Plant Physiol
; 170(1): 123-35, 2016 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-26556795
15.
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
16.
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
17.
Determination of cellulose crystallinity from powder diffraction diagrams.
Biopolymers
; 103(2): 67-73, 2015 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-25269646
18.
Why genetic modification of lignin leads to low-recalcitrance biomass.
Phys Chem Chem Phys
; 17(1): 358-64, 2015 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-25384960
19.
Investigation of Carbohydrate Recognition via Computer Simulation.
Molecules
; 20(5): 7700-18, 2015 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25927900
20.
The role of histone tails in the nucleosome: a computational study.
Biophys J
; 107(12): 2911-2922, 2014 Dec 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-25517156