Detalhe da pesquisa
1.
N-Sulfonyl-1,2,3,4-tetrahydroisoquinoline Derivatives: Synthesis, Antimicrobial Evaluations, and Theoretical Insights.
Chem Biodivers
; 20(11): e202300905, 2023 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-37798253
2.
Evaluating the conformational space of the active site of D2 dopamine receptor. Scope and limitations of the standard docking methods.
J Comput Chem
; 43(19): 1298-1312, 2022 07 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35638694
3.
An inhibitory mechanism of action of coiled-coil peptides against type three secretion system from enteropathogenic Escherichia coli.
J Pept Sci
; 25(3): e3149, 2019 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-30746861
4.
Luminescent Lanthanide Metal Organic Frameworks as Chemosensing Platforms towards Agrochemicals and Cations.
Sensors (Basel)
; 19(5)2019 Mar 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-30871122
5.
Molecular design and synthesis of novel peptides from amphibians skin acting as inhibitors of cholinesterase enzymes.
J Pept Sci
; 23(3): 236-244, 2017 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-28150445
6.
Structural and thermodynamic characteristics of the exosite binding pocket on the human BACE1: a molecular modeling approach.
J Phys Chem A
; 114(37): 10261-9, 2010 Sep 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-20806954
7.
Performance of density functional models to reproduce observed (13)C(alpha) chemical shifts of proteins in solution.
J Comput Chem
; 30(6): 884-92, 2009 Apr 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-18780343
8.
Rational Design of a Famotidine-Ibuprofen Coamorphous System: An Experimental and Theoretical Study.
J Phys Chem B
; 122(37): 8772-8782, 2018 09 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-30160964
9.
New small-size peptides modulators of the exosite of BACE1 obtained from a structure-based design.
J Biomol Struct Dyn
; 35(2): 413-426, 2017 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-26813690
10.
Looking for the interactions between omeprazole and amoxicillin in a disordered phase. An experimental and theoretical study.
Spectrochim Acta A Mol Biomol Spectrosc
; 156: 70-7, 2016 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-26654963
11.
Position dependence of the 13C chemical shifts of alpha-helical model peptides. Fingerprint of the 20 naturally occurring amino acids.
Protein Sci
; 13(11): 2939-48, 2004 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-15498939
12.
Fast and accurate computation of the 13C chemical shifts for an alanine-rich peptide.
Proteins
; 57(1): 87-98, 2004 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-15326595
13.
Predicting 13Calpha chemical shifts for validation of protein structures.
J Biomol NMR
; 38(3): 221-35, 2007 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-17558470
14.
New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone.
Bioorg Med Chem
; 15(13): 4369-81, 2007 Jul 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-17482824
15.
Polyproline II helix conformation in a proline-rich environment: a theoretical study.
Biophys J
; 86(2): 731-42, 2004 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-14747311
16.
Unblocked statistical-coil tetrapeptides in aqueous solution: quantum-chemical computation of the carbon-13 NMR chemical shifts.
J Biomol NMR
; 26(2): 113-30, 2003 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-12766407
17.
Unblocked statistical-coil tetrapeptides and pentapeptides in aqueous solution: a theoretical study.
J Biomol NMR
; 24(3): 245-62, 2002 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-12522312