Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 20 of 50

1.

Affordable Membrane Permeability Calculations: Permeation of Short-Chain Alcohols through Pure-Lipid Bilayers and a Mammalian Cell Membrane.

Tse CH, Comer J, Sang Chu SK, Wang Y, Chipot C.

J Chem Theory Comput. 2019 May 14;15(5):2913-2924. doi: 10.1021/acs.jctc.9b00022. Epub 2019 Apr 26.

PMID:
30998342
2.

Predicting the preferred morphology of hexagonal boron nitride domain structure on nickel from ReaxFF-based molecular dynamics simulations.

Liu S, Comer J, van Duin ACT, van Duin DM, Liu B, Edgar JH.

Nanoscale. 2019 Mar 21;11(12):5607-5616. doi: 10.1039/c8nr10291k.

PMID:
30860524
3.

Thermodynamics of Adsorption on Graphenic Surfaces from Aqueous Solution.

Azhagiya Singam ER, Zhang Y, Magnin G, Miranda-Carvajal I, Coates L, Thakkar R, Poblete H, Comer J.

J Chem Theory Comput. 2019 Feb 12;15(2):1302-1316. doi: 10.1021/acs.jctc.8b00830. Epub 2019 Jan 11.

PMID:
30592594
4.

Inhibition of a Snake Venom Metalloproteinase by the Flavonoid Myricetin.

Preciado LM, Comer J, Núñez V, Rey-Súarez P, Pereañez JA.

Molecules. 2018 Oct 16;23(10). pii: E2662. doi: 10.3390/molecules23102662.

5.

Interactions between Triterpenes and a P-I Type Snake Venom Metalloproteinase: Molecular Simulations and Experiments.

Preciado LM, Pereañez JA, Azhagiya Singam ER, Comer J.

Toxins (Basel). 2018 Sep 28;10(10). pii: E397. doi: 10.3390/toxins10100397.

6.

Comparative functional dynamics studies on the enzyme nano-bio interface.

Thomas SE, Comer J, Kim MJ, Marroquin S, Murthy V, Ramani M, Hopke TG, McCall J, Choi SO, DeLong RK.

Int J Nanomedicine. 2018 Aug 8;13:4523-4536. doi: 10.2147/IJN.S152222. eCollection 2018.

7.

The influence of polyethylene glycol passivation on the surface plasmon resonance induced photothermal properties of gold nanorods.

Marasini R, Pitchaimani A, Nguyen TDT, Comer J, Aryal S.

Nanoscale. 2018 Jul 19;10(28):13684-13693. doi: 10.1039/c8nr03026j.

PMID:
29989133
8.

Polymeric substances for the removal of ochratoxin A from red wine followed by computational modeling of the complexes formed.

Carrasco-Sánchez V, Marican A, Vergara-Jaque A, Folch-Cano C, Comer J, Laurie VF.

Food Chem. 2018 Nov 1;265:159-164. doi: 10.1016/j.foodchem.2018.05.089. Epub 2018 May 21.

PMID:
29884367
9.

Link between Membrane Composition and Permeability to Drugs.

Tse CH, Comer J, Wang Y, Chipot C.

J Chem Theory Comput. 2018 Jun 12;14(6):2895-2909. doi: 10.1021/acs.jctc.8b00272. Epub 2018 May 30.

PMID:
29771515
10.

Chasing a Protein's Tail: Detection of Polypeptide Translocation through Nanopores.

Comer J.

Biophys J. 2018 Feb 27;114(4):759-760. doi: 10.1016/j.bpj.2017.12.020. No abstract available.

11.

Enzyme and Cancer Cell Selectivity of Nanoparticles: Inhibition of 3D Metastatic Phenotype and Experimental Melanoma by Zinc Oxide.

DeLong RK, Mitchell JA, Morris RT, Comer J, Hurst MN, Ghosh K, Wanekaya A, Mudge M, Schaeffer A, Washington LL, Risor-Marhanka A, Thomas S, Marroquin S, Lekey A, Smith JJ, Garrad R, Aryal S, Abdelhakiem M, Glaspell GP.

J Biomed Nanotechnol. 2017 Feb;13(2):221-31.

PMID:
29377653
12.

Iodide Binding in Sodium-Coupled Cotransporters.

Vergara-Jaque A, Fong P, Comer J.

J Chem Inf Model. 2017 Dec 26;57(12):3043-3055. doi: 10.1021/acs.jcim.7b00521. Epub 2017 Dec 4.

13.

Potential Information Loss Due to Categorization of Minimum Inhibitory Concentration Frequency Distributions.

Mazloom R, Jaberi-Douraki M, Comer JR, Volkova V.

Foodborne Pathog Dis. 2018 Jan;15(1):44-54. doi: 10.1089/fpd.2017.2301. Epub 2017 Oct 17.

PMID:
29039983
14.

Understanding Noncovalent Interactions of Small Molecules with Carbon Nanotubes.

Calbo J, López-Moreno A, de Juan A, Comer J, Ortí E, Pérez EM.

Chemistry. 2017 Sep 18;23(52):12909-12916. doi: 10.1002/chem.201702756. Epub 2017 Aug 16.

PMID:
28685912
15.

Correction to "New Insights into Peptide-Silver Nanoparticle Interaction: Deciphering the Role of Cysteine and Lysine in the Peptide Sequence".

Poblete H, Agarwal A, Thomas SS, Bohne C, Ravichandran R, Phopase J, Comer J, Alarcon EI.

Langmuir. 2017 Jun 13;33(23):5973. doi: 10.1021/acs.langmuir.7b01545. Epub 2017 May 30. No abstract available.

PMID:
28558219
16.

Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles.

Comer J, Schulten K, Chipot C.

J Chem Theory Comput. 2017 Jun 13;13(6):2523-2532. doi: 10.1021/acs.jctc.7b00264. Epub 2017 May 12.

PMID:
28475319
17.

Determinants of Alanine Dipeptide Conformational Equilibria on Graphene and Hydroxylated Derivatives.

Poblete H, Miranda-Carvajal I, Comer J.

J Phys Chem B. 2017 Apr 20;121(15):3895-3907. doi: 10.1021/acs.jpcb.7b01130. Epub 2017 Mar 24.

18.

Subdiffusion in Membrane Permeation of Small Molecules.

Chipot C, Comer J.

Sci Rep. 2016 Nov 2;6:35913. doi: 10.1038/srep35913.

19.

Self-Assembly of Amphiphilic Dendrimers: The Role of Generation and Alkyl Chain Length in siRNA Interaction.

Márquez-Miranda V, Araya-Durán I, Camarada MB, Comer J, Valencia-Gallegos JA, González-Nilo FD.

Sci Rep. 2016 Jul 5;6:29436. doi: 10.1038/srep29436.

20.

DNA sequence-dependent ionic currents in ultra-small solid-state nanopores.

Comer J, Aksimentiev A.

Nanoscale. 2016 May 5;8(18):9600-13. doi: 10.1039/c6nr01061j.

Supplemental Content

Loading ...
Support Center