Detalhe da pesquisa
1.
Mapping the configurational landscape and aggregation phase behavior of the tau protein fragment PHF6.
Proc Natl Acad Sci U S A
; 120(48): e2309995120, 2023 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37983502
2.
Phosphates form spectroscopically dark state assemblies in common aqueous solutions.
Proc Natl Acad Sci U S A
; 120(1): e2206765120, 2023 01 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-36580589
3.
Relationships between Water's Structure and Solute Affinity at Polypeptoid Brush Surfaces.
Langmuir
; 40(1): 761-771, 2024 Jan 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-38118078
4.
Computation of Overhauser dynamic nuclear polarization processes reveals fundamental correlation between water dynamics, structure, and solvent restructuring entropy.
Phys Chem Chem Phys
; 26(20): 14637-14650, 2024 May 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38742831
5.
Inverse design of pore wall chemistry and topology through active learning of surface group interactions.
J Chem Phys
; 160(12)2024 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38526115
6.
Surveying the energy landscape of coarse-grained mappings.
J Chem Phys
; 160(5)2024 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38310476
7.
Affinity of small-molecule solutes to hydrophobic, hydrophilic, and chemically patterned interfaces in aqueous solution.
Proc Natl Acad Sci U S A
; 118(1)2021 01 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33372161
8.
A molecularly informed field-theoretic study of the complexation of polycation PDADMA with mixed micelles of sodium dodecyl sulfate and ethoxylated surfactants.
Eur Phys J E Soft Matter
; 46(9): 75, 2023 Sep 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-37665423
9.
Molecularly informed field theory for estimating critical micelle concentrations of intrinsically disordered protein surfactants.
J Chem Phys
; 159(24)2023 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38149742
10.
Exploring the landscape of model representations.
Proc Natl Acad Sci U S A
; 117(39): 24061-24068, 2020 09 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-32929015
11.
Evidence for Entropically Controlled Interfacial Hydration in Mesoporous Organosilicas.
J Am Chem Soc
; 144(4): 1766-1777, 2022 02 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-35041412
12.
Sequence Modulates Polypeptoid Hydration Water Structure and Dynamics.
Biomacromolecules
; 23(4): 1745-1756, 2022 04 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35274944
13.
A microcanonical approach to temperature-transferable coarse-grained models using the relative entropy.
J Chem Phys
; 155(9): 094102, 2021 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34496595
14.
Computational discovery of chemically patterned surfaces that effect unique hydration water dynamics.
Proc Natl Acad Sci U S A
; 115(32): 8093-8098, 2018 08 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30038028
15.
Surface chemical heterogeneity modulates silica surface hydration.
Proc Natl Acad Sci U S A
; 115(12): 2890-2895, 2018 03 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-29507240
16.
End-to-End Distance Probability Distributions of Dilute Poly(ethylene oxide) in Aqueous Solution.
J Am Chem Soc
; 142(46): 19631-19641, 2020 11 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-33141567
17.
Universal Gas Adsorption Mechanism for Flat Nanobubble Morphologies.
Phys Rev Lett
; 125(14): 146101, 2020 Oct 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33064497
18.
Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density.
J Chem Phys
; 153(14): 144101, 2020 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-33086808
19.
Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic information.
J Chem Phys
; 153(15): 154116, 2020 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-33092363
20.
Decoding signatures of structure, bulk thermodynamics, and solvation in three-body angle distributions of rigid water models.
J Chem Phys
; 151(9): 094501, 2019 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31492058