Detalles de la búsqueda
1.
Different Drug Mobilities in Hydrophobic Cavities of Host-Guest Complexes between ß-Cyclodextrin and 5-Fluorouracil at Different Stoichiometries: A Molecular Dynamics Study in Water.
Int J Mol Sci
; 25(11)2024 May 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-38892075
2.
Adsorption Affinities of Small Volatile Organic Molecules on Graphene Surfaces for Novel Nanofiller Design: A DFT Study.
Molecules
; 28(22)2023 Nov 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-38005356
3.
Understanding Surface Interaction and Inclusion Complexes between Piroxicam and Native or Crosslinked ß-Cyclodextrins: The Role of Drug Concentration.
Molecules
; 25(12)2020 Jun 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-32575617
4.
A Molecular Dynamics Study of a Photodynamic Sensitizer for Cancer Cells: Inclusion Complexes of γ-Cyclodextrins with C70.
Int J Mol Sci
; 20(19)2019 Sep 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-31569423
5.
Inclusion complexes of ß-cyclodextrin with tricyclic drugs: an X-ray diffraction, NMR and molecular dynamics study.
Beilstein J Org Chem
; 13: 714-719, 2017.
Artículo
en Inglés
| MEDLINE | ID: mdl-28503206
6.
Aggregation behavior of amphiphilic cyclodextrins in a nonpolar solvent: evidence of large-scale structures by atomistic molecular dynamics simulations and solution studies.
Beilstein J Org Chem
; 12: 73-80, 2016.
Artículo
en Inglés
| MEDLINE | ID: mdl-26877809
7.
Aggregation behaviour of amphiphilic cyclodextrins: the nucleation stage by atomistic molecular dynamics simulations.
Beilstein J Org Chem
; 11: 2459-73, 2015.
Artículo
en Inglés
| MEDLINE | ID: mdl-26734094
8.
Surface topography effects in protein adsorption on nanostructured carbon allotropes.
Langmuir
; 29(15): 4883-93, 2013 Apr 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-23517008
9.
Adsorption and Self-Aggregation of Chiral [5]-Aza[6]helicenes on DNA Architecture: A Molecular Dynamics Study.
J Phys Chem B
; 127(39): 8285-8295, 2023 Oct 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-37751596
10.
Molecular modeling and phylogenetic analyses highlight the role of amino acid 347 of the N1 subtype neuraminidase in influenza virus host range and interspecies adaptation.
Front Microbiol
; 14: 1309156, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-38169695
11.
Surface Interactions between Ketoprofen and Silica-Based Biomaterials as Drug Delivery System Synthesized via Sol-Gel: A Molecular Dynamics Study.
Materials (Basel)
; 15(8)2022 Apr 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-35454451
12.
L-Arginine-Derived Polyamidoamine Oligomers Bearing at Both Ends ß-Cyclodextrin Units as pH-Sensitive Curcumin Carriers.
Polymers (Basel)
; 14(15)2022 Aug 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-35956707
13.
Trends in biomedical engineering: focus on Smart Bio-Materials and Drug Delivery.
J Appl Biomater Biomech
; 9(2): 87-97, 2011.
Artículo
en Inglés
| MEDLINE | ID: mdl-22065386
14.
Protein adsorption on a hydrophobic surface: a molecular dynamics study of lysozyme on graphite.
Langmuir
; 26(8): 5679-89, 2010 Apr 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-20041676
15.
Protein adsorption on biomaterial and nanomaterial surfaces: a molecular modeling approach to study non-covalent interactions.
J Appl Biomater Biomech
; 8(3): 135-45, 2010.
Artículo
en Inglés
| MEDLINE | ID: mdl-21337304
16.
Dendrimer Dynamics: A Review of Analytical Theories and Molecular Simulation Methods.
Polymers (Basel)
; 12(6)2020 Jun 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-32575767
17.
Adsorption of Chiral [5]-Aza[5]helicenes on DNA Can Modify Its Hydrophilicity and Affect Its Chiral Architecture: A Molecular Dynamics Study.
Materials (Basel)
; 13(21)2020 Nov 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-33171884
18.
Hydrogen Bonding in a l-Glutamine-Based Polyamidoamino Acid and its pH-Dependent Self-Ordered Coil Conformation.
Polymers (Basel)
; 12(4)2020 Apr 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-32290338
19.
Validating a strategy for molecular dynamics simulations of cyclodextrin inclusion complexes through single-crystal X-ray and NMR experimental data: a case study.
J Phys Chem B
; 113(27): 9110-22, 2009 Jul 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-19526998
20.
Self-Structuring in Water of Polyamidoamino Acids with Hydrophobic Side Chains Deriving from Natural α-Amino Acids.
Polymers (Basel)
; 10(11)2018 Nov 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-30961186