Detalhe da pesquisa
1.
Maximizing Aqueous Drug Encapsulation: Small Nanoparticles Formation Enabled by Glycopolymers Combining Glucose and Tyrosine.
J Am Chem Soc
; 146(12): 8120-8130, 2024 Mar 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38477486
2.
Binding of Per- and Polyfluoroalkyl Substances to ß-Lactoglobulin from Bovine Milk.
Chem Res Toxicol
; 37(5): 757-770, 2024 May 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-38625865
3.
In Search of the Best Low-Cost Methods for Efficient Screening of Conformers.
J Phys Chem A
; 128(21): 4391-4400, 2024 May 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-38754085
4.
MM/GBSA prediction of relative binding affinities of carbonic anhydrase inhibitors: effect of atomic charges and comparison with Autodock4Zn.
J Comput Aided Mol Des
; 37(4): 167-182, 2023 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-36930332
5.
Simple Composite Approach to Efficiently Estimate Basis Set Limit CCSD(T) Harmonic Frequencies and Reaction Thermochemistry.
J Phys Chem A
; 127(47): 10026-10031, 2023 Nov 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-37970798
6.
High-Level Quantum Chemical Prediction of C-F Bond Dissociation Energies of Perfluoroalkyl Substances.
J Phys Chem A
; 127(38): 7943-7953, 2023 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37722129
7.
Hydrogen-Bond Disrupting Electrolytes for Fast and Stable Proton Batteries.
Small
; 18(22): e2201449, 2022 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35557499
8.
Molecular Crowding Electrolytes for Stable Proton Batteries.
Small
; 18(45): e2202992, 2022 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36156409
9.
Development of an Albumin-Polymer Bioconjugate via Covalent Conjugation and Supramolecular Interactions.
Bioconjug Chem
; 33(2): 321-332, 2022 02 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35057618
10.
Quantum Chemical Prediction of the Acidities of Sulfonamide Inhibitors of Carbonic Anhydrase.
J Phys Chem A
; 126(49): 9207-9217, 2022 Dec 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36458829
11.
"Water-in-Sugar" Electrolytes Enable Ultrafast and Stable Electrochemical Naked Proton Storage.
Small
; 17(40): e2102375, 2021 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34499420
12.
Diaminomethylenemalononitriles and Diaminomethyleneindanediones as Dual Hydrogen Bond Donors for Anion Recognition.
J Org Chem
; 86(7): 4957-4964, 2021 04 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33755453
13.
Accurate Quantum Chemical Prediction of Gas-Phase Anion Binding Affinities and Their Structure-Binding Relationships.
J Phys Chem A
; 125(45): 9838-9851, 2021 Nov 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-34739245
14.
Accuracy of DLPNO-CCSD(T): Effect of Basis Set and System Size.
J Phys Chem A
; 125(7): 1553-1563, 2021 Feb 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33560853
15.
Eigenvector centrality for characterization of protein allosteric pathways.
Proc Natl Acad Sci U S A
; 115(52): E12201-E12208, 2018 12 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-30530700
16.
Polyphenylglyoxamide-Based Amphiphilic Small Molecular Peptidomimetics as Antibacterial Agents with Anti-Biofilm Activity.
Int J Mol Sci
; 22(14)2021 Jul 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-34298964
17.
The Effect of Vicinal Difluorination on the Conformation and Potency of Histone Deacetylase Inhibitors.
Molecules
; 26(13)2021 Jun 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-34209791
18.
Nontargeted Identification of Plasma Proteins O-, N-, and S-Transmethylated by O-Methyl Organophosphates.
Anal Chem
; 92(23): 15420-15428, 2020 12 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33200920
19.
Visible-Light Photoswitching by Azobenzazoles.
Chemistry
; 26(5): 1103-1110, 2020 Jan 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-31729050
20.
Anion Binding Affinity: Acidity versus Conformational Effects.
J Org Chem
; 85(12): 8074-8084, 2020 06 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-32407087