Comer J - Search Results

1

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. Azhagiya Singam ER, et al. Among authors: comer j. J Chem Theory Comput. 2019 Feb 12;15(2):1302-1316. doi: 10.1021/acs.jctc.8b00830. Epub 2019 Jan 11. J Chem Theory Comput. 2019. PMID: 30592594 Free article.

2

Molecular determinants of phosphatidylinositol 4,5-bisphosphate (PI(4,5)P2) binding to transient receptor potential V1 (TRPV1) channels.

Poblete H, Oyarzún I, Olivero P, Comer J, Zuñiga M, Sepulveda RV, Báez-Nieto D, González Leon C, González-Nilo F, Latorre R. Poblete H, et al. Among authors: comer j. J Biol Chem. 2015 Jan 23;290(4):2086-98. doi: 10.1074/jbc.M114.613620. Epub 2014 Nov 25. J Biol Chem. 2015. PMID: 25425643 Free PMC article.

3

Predicting Adsorption Affinities of Small Molecules on Carbon Nanotubes Using Molecular Dynamics Simulation.

Comer J, Chen R, Poblete H, Vergara-Jaque A, Riviere JE. Comer J, et al. ACS Nano. 2015 Dec 22;9(12):11761-74. doi: 10.1021/acsnano.5b03592. Epub 2015 Nov 9. ACS Nano. 2015. PMID: 26506132 Free article.

4

Multiple-Replica Strategies for Free-Energy Calculations in NAMD: Multiple-Walker Adaptive Biasing Force and Walker Selection Rules.

Comer J, Phillips JC, Schulten K, Chipot C. Comer J, et al. J Chem Theory Comput. 2014 Dec 9;10(12):5276-85. doi: 10.1021/ct500874p. Epub 2014 Nov 26. J Chem Theory Comput. 2014. PMID: 26583211

5

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. Poblete H, et al. Among authors: comer j. Langmuir. 2016 Jan 12;32(1):265-73. doi: 10.1021/acs.langmuir.5b03601. Epub 2015 Dec 31. Langmuir. 2016. PMID: 26675437

6

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

Poblete H, Miranda-Carvajal I, Comer J. Poblete H, et al. Among authors: comer j. J Phys Chem B. 2017 Apr 20;121(15):3895-3907. doi: 10.1021/acs.jpcb.7b01130. Epub 2017 Mar 24. J Phys Chem B. 2017. PMID: 28291356 Free article.

7

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

Comer J, Schulten K, Chipot C. Comer J, et al. J Chem Theory Comput. 2017 Jun 13;13(6):2523-2532. doi: 10.1021/acs.jctc.7b00264. Epub 2017 May 12. J Chem Theory Comput. 2017. PMID: 28475319

8

Link between Membrane Composition and Permeability to Drugs.

Tse CH, Comer J, Wang Y, Chipot C. Tse CH, et al. Among authors: comer j. J Chem Theory Comput. 2018 Jun 12;14(6):2895-2909. doi: 10.1021/acs.jctc.8b00272. Epub 2018 May 30. J Chem Theory Comput. 2018. PMID: 29771515

9

Experimental and Computational Characterization of the Interaction between Gold Nanoparticles and Polyamidoamine Dendrimers.

Camarada MB, Comer J, Poblete H, Azhagiya Singam ER, Marquez-Miranda V, Morales-Verdejo C, Gonzalez-Nilo FD. Camarada MB, et al. Among authors: comer j. Langmuir. 2018 Aug 28;34(34):10063-10072. doi: 10.1021/acs.langmuir.8b01809. Epub 2018 Aug 17. Langmuir. 2018. PMID: 30074805

10

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

Preciado LM, Pereañez JA, Azhagiya Singam ER, Comer J. Preciado LM, et al. Among authors: comer j. Toxins (Basel). 2018 Sep 28;10(10):397. doi: 10.3390/toxins10100397. Toxins (Basel). 2018. PMID: 30274214 Free PMC article.

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