41 Publications (Page 1 of 2)
2022
Design of Peptides that Fold and Self-Assemble on Graphite.
Legleiter, JustinThakkar, RavindraVelásquez-Silva, AstridMiranda-Carvajal, IngridWhitaker, SusanTomich, John and Comer, Jeffrey
Journal of chemical information and modeling, July 26, 2022. | Journal Article
 
Organic contaminants and atmospheric nitrogen at the graphene-water interface: a simulation study.
Thakkar, RavindraGajaweera, Sandun and Comer, Jeffrey
Nanoscale advances, vol. 4, (no. 7), pp. 1741-1757, March 29, 2022. | Journal Article
2019
A Structural Model of the Inactivation Gate of Voltage-Activated Potassium Channels.
Vergara-Jaque, ArielaPalma-Cerda, FranciscoLowet, Adam Sde la Cruz Landrau, AngelPoblete, HoracioSukharev, AlexanderComer, Jeffrey and Holmgren, Miguel
Biophysical journal, vol. 117, (no. 2), pp. 377-387, July 23, 2019. | Journal Article
 
Predicting the preferred morphology of hexagonal boron nitride domain structure on nickel from ReaxFF-based molecular dynamics simulations
Liu, SongComer, Jeffreyvan Duin, Diana MLiu, Bin and Edgar, James H
Nanoscale, vol. 11, (no. 12), pp. 5607-5616, 2019. | Journal Article
 
Thermodynamics of Adsorption on Graphenic Surfaces from Aqueous Solution
Singam, E R AZhang, YuntaoMagnin, GeraldineMiranda-Carvajal, IngridCoates, LoganThakkar, RavindraPoblete, Horacio and Comer, Jeffrey
Journal of Chemical Theory and Computation, vol. 15, (no. 2), Feb 12, 2019. | Journal Article
2018
Comparative functional dynamics studies on the enzyme nano-bio interface.
Thomas, Spencer EThomas, Spencer EComer, JeffreyComer, JeffreyKim, Min JungKim, Min JungMarroquin, ShannaMarroquin, ShannaMurthy, VaibhavMurthy, VaibhavRamani, MeghanaRamani, MeghanaHopke, Tabetha GaileHopke, Tabetha GaileMcCall, JaydenMcCall, JaydenChoi, Seong-OChoi, Seong-ODeLong, Robert K and De Long, Robert K
International journal of nanomedicine, vol. 13, pp. 4523-4536, 2018. | Journal Article
 
Interactions between Triterpenes and a P-I Type Snake Venom Metalloproteinase: Molecular Simulations and Experiments
Preciado, Lina M and Comer, Jeffrey
Toxins, vol. 10, (no. 10), Oct 2018. | Journal Article
 
The influence of polyethylene glycol passivation on the surface plasmon resonance induced photothermal properties of gold nanorods
Marasini, RameshPitchaimani, ArunkumarComer, Jeffrey and Aryal, Santosh
Nanoscale, vol. 10, (no. 28), pp. 13684-13693, 2018. | Journal Article
2017
Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles
Comer, JeffreySchulten, Klaus and Chipot, Christophe
Journal of Chemical Theory and Computation, vol. 13, (no. 6), Jun 13, 2017. | Journal Article
 
Rose Bengal Binding to Collagen and Tissue Photobonding.
Alarcon, Emilio IPoblete, HoracioRoh, HeeGwangCouture, Jean-FrançoisComer, Jeffrey and Kochevar, Irene E
ACS omega, vol. 2, (no. 10), pp. 6646-6657, October 31, 2017. | Journal Article
2016
DNA sequence-dependent ionic currents in ultra-small solid-state nanopores.
Comer, Jeffrey and Aksimentiev, Aleksei
Nanoscale, vol. 8, (no. 18), pp. 9600-9613, May 5, 2016. | Journal Article
 
New Insights into Peptide-Silver Nanoparticle Interaction: Deciphering the Role of Cysteine and Lysine in the Peptide Sequence.
Poblete, HoracioPoblete, HoracioAgarwal, AnirudhAgarwal, AnirudhThomas, Suma S.Thomas, Suma SBohne, CorneliaBohne, CorneliaRavichandran, RanjithkumarRavichandran, RanjithkumarPhopase, JaywantPhospase, JaywantComer, JeffreyComer, JeffreyAlarcon, Emilio I. and Alarcon, Emilio I
Langmuir : the ACS journal of surfaces and colloids, vol. 32, (no. 1), pp. 265-273, January 12, 2016. | Journal Article
 
Self-Assembly of Amphiphilic Dendrimers: The Role of Generation and Alkyl Chain Length in siRNA Interaction.
Márquez-Miranda, ValeriaAraya-Durán, IngridCamarada, María BelénComer, JeffreyValencia-Gallegos, Jesús A and González-Nilo, Fernando Danilo
Scientific reports, vol. 6, pp. 29436, July 5, 2016. | Journal Article
 
Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds.
Lee, Christopher TLee, Christopher T.Comer, JeffreyComer, JeffreyHerndon, ConnerHerndon, ConnerLeung, NelsonLeung, NelsonPavlova, AnnaPavlova, AnnaSwift, Robert VSwift, Robert V.Tung, ChrisTung, ChrisRowley, Christopher NRowley, Christopher NAmaro, Rommie E.Amaro, Rommie EChipot, ChristopheChipot, ChristopheWang, YiWang, YiGumbart, James C. and Gumbart, James C
Journal of chemical information and modeling, vol. 56, (no. 4), pp. 721-733, April 25, 2016. | Journal Article
 
Subdiffusion in Membrane Permeation of Small Molecules.
Chipot, Christophe and Comer, Jeffrey
Scientific reports, vol. 6, pp. 35913, November 2, 2016. | Journal Article
2015
Predicting Adsorption Affinities of Small Molecules on Carbon Nanotubes Using Molecular Dynamics Simulation.
Comer, JeffreyChen, RanPoblete, HoracioVergara-Jaque, Ariela and Riviere, Jim E
ACS nano, vol. 9, (no. 12), pp. 11761-11774, December 22, 2015. | Journal Article
 
Sonoporation at Small and Large Length Scales: Effect of Cavitation Bubble Collapse on Membranes.
Fu, HaohaoComer, JeffreyCai, Wensheng and Chipot, Christophe
The journal of physical chemistry letters, vol. 6, (no. 3), pp. 413-418, February 5, 2015. | Journal Article
 
The adaptive biasing force method: everything you always wanted to know but were afraid to ask.
Comer, JeffreyGumbart, James CHénin, JérômeLelièvre, TonyPohorille, Andrew and Chipot, Christophe
The journal of physical chemistry. B, vol. 119, (no. 3), pp. 1129-1151, January 22, 2015. | Journal Article
2014
A Stabilized Finite Element Method for Modified Poisson-Nernst-Planck Equations to Determine Ion Flow Through a Nanopore.
Chaudhry, Jehanzeb HameedComer, JeffreyAksimentiev, Aleksei and Olson, Luke N
Communications in computational physics, vol. 15, (no. 1), January 2014. | Journal Article
 
Close encounters with DNA.
Maffeo, CYoo, JComer, JWells, D BLuan, B and Aksimentiev, A
Journal of physics. Condensed matter : an Institute of Physics journal, vol. 26, (no. 41), pp. 413101, October 15, 2014. | Journal Article
 
In situ and in silico evaluation of amine- and folate-terminated dendrimers as nanocarriers of anesthetics.
Carrasco-Sánchez, VerónicaVergara-Jaque, ArielaZuñiga, MatíasComer, Jeffrey RJohn, AmalrajNachtigall, Fabiane MValdes, OscarDuran-Lara, Esteban FSandoval, Claudia and Santos, Leonardo S
European journal of medicinal chemistry, vol. 73, pp. 250-7, 2014/Feb/12. | Journal Article
2013
Computationally efficient methodology for atomic-level characterization of dendrimer-drug complexes: a comparison of amine- and acetyl-terminated PAMAM.
Vergara-Jaque, ArielaComer, Jeffrey RMonsalve, LuisGonzález-Nilo, Fernando D and Sandoval, Claudia
The journal of physical chemistry. B, vol. 117, (no. 22), pp. 6801-13, 2013/Jun/6. | Journal Article
 
Dangerous liaisons between detergents and membrane proteins. The case of mitochondrial uncoupling protein 2.
Zoonens, ManuelaComer, Jeffrey RMasscheleyn, SandrinePebay-Peyroula, EvaChipot, ChristopheMiroux, Bruno and Dehez, François
Journal of the American Chemical Society, vol. 135, (no. 40), pp. 15174-82, 2013/Oct/9. | Journal Article
 
Paclitaxel-PHBV nanoparticles and their toxicity to endometrial and primary ovarian cancer cells.
Vilos, CristianMorales, Francisco ASolar, Paula AHerrera, Natalia SGonzalez-Nilo, Fernando DAguayo, Daniel AMendoza, Hegaly LComer, Jeffrey RBravo, Maria LGonzalez, Pamela AKato, SumieCuello, Mauricio AAlonso, CatalinaBravo, Erasmo JBustamante, Eva IOwen, Gareth I and Velasquez, Luis A
Biomaterials, vol. 34, (no. 16), pp. 4098-108, 2013/May. | Journal Article
2012
Assessing graphene nanopores for sequencing DNA.
Wells, David BBelkin, MaximComer, Jeffrey R and Aksimentiev, Aleksei
Nano letters, vol. 12, (no. 8), pp. 4117-23, 2012/Aug/8. | Journal Article