Detalhe da pesquisa
1.
Stimulus-Induced Relief of Intentionally Incorporated Frustration Drives Refolding of a Water-Soluble Biomimetic Foldamer.
J Am Chem Soc
; 145(50): 27672-27679, 2023 12 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-38054648
2.
Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew Chem Int Ed Engl
; 62(46): e202308408, 2023 11 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-37707879
3.
Accessing Improbable Foldamer Shapes with Strained Macrocycles.
Chemistry
; 27(43): 11205-11215, 2021 Aug 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33905165
4.
Frustrated Helicity: Joining the Diverging Ends of a Stable Aromatic Amide Helix to Form a Fluxional Macrocycle.
Angew Chem Int Ed Engl
; 57(26): 7888-7892, 2018 06 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-29655204
5.
Computational Prediction and Rationalization, and Experimental Validation of Handedness Induction in Helical Aromatic Oligoamide Foldamers.
Chemistry
; 23(15): 3605-3615, 2017 Mar 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-27935190
6.
Mechanistic and dynamic insights into ligand encapsulation by helical arylamide foldamers.
Phys Chem Chem Phys
; 16(38): 20406-10, 2014 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-25155970
7.
Conformational preferences of furan- and thiophene-based arylamides: a combined computational and experimental study.
Phys Chem Chem Phys
; 15(28): 11883-92, 2013 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-23765415
8.
An ab initio molecular orbital study of intramolecular hydrogen bonding in ortho-substituted arylamides: implications for the parameterization of molecular mechanics force fields.
J Comput Chem
; 32(9): 1846-58, 2011 Jul 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-21462227
9.
Hydrogen bonding in ortho-substituted arylamides: the influence of protic solvents.
J Phys Chem B
; 113(20): 7041-4, 2009 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-19397255
10.
Intramolecular hydrogen bonding in ortho-substituted arylamide oligomers: a computational and experimental study of ortho-fluoro- and ortho-chloro-N-methylbenzamides.
J Phys Chem B
; 113(38): 12809-15, 2009 Sep 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-19722486
11.
Controlling the shape and flexibility of arylamides: a combined ab initio, ab initio molecular dynamics, and classical molecular dynamics study.
J Phys Chem B
; 110(8): 3517-26, 2006 Mar 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-16494407
12.
Helix handedness inversion in arylamide foldamers: elucidation and free energy profile of a hopping mechanism.
Chem Commun (Camb)
; 52(4): 669-72, 2016 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-26507120
13.
The design and evaluation of heparin-binding foldamers.
Angew Chem Int Ed Engl
; 44(41): 6685-9, 2005 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-16094685
14.
Computational Study of the Small Zr(IV) Polynuclear Species.
J Chem Theory Comput
; 4(1): 145-55, 2008 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-26619988
15.
Computational study of the Zr4+ tetranuclear polymer, [Zr4(OH)8(H2O)16]8+.
J Phys Chem A
; 111(45): 11395-9, 2007 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-17944442
16.
Ab initio calculations of intramolecular parameters for a class of arylamide polymers.
J Comput Chem
; 27(6): 693-700, 2006 Apr 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-16634095
17.
Characterization of nonbiological antimicrobial polymers in aqueous solution and at water-lipid interfaces from all-atom molecular dynamics.
J Am Chem Soc
; 128(6): 1778-9, 2006 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-16464062
18.
Gauche effect in 1,2-difluoroethane. Hyperconjugation, bent bonds, steric repulsion.
J Phys Chem A
; 109(6): 1223-9, 2005 Feb 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-16833433