41 Publications (Page 1 of 2)
2022
Design of Peptides that Fold and Self-Assemble on Graphite.
Legleiter, Justin⋅Thakkar, Ravindra⋅Velásquez-Silva, Astrid⋅Miranda-Carvajal, Ingrid⋅Whitaker, Susan⋅Tomich, 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, Ravindra⋅Gajaweera, 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, Ariela⋅Palma-Cerda, Francisco⋅Lowet, Adam S⋅de la Cruz Landrau, Angel⋅Poblete, Horacio⋅Sukharev, Alexander⋅Comer, 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, Song⋅Comer, Jeffrey⋅van Duin, Diana M⋅Liu, 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 A⋅Zhang, Yuntao⋅Magnin, Geraldine⋅Miranda-Carvajal, Ingrid⋅Coates, Logan⋅Thakkar, Ravindra⋅Poblete, 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 E⋅Thomas, Spencer E⋅Comer, Jeffrey⋅Comer, Jeffrey⋅Kim, Min Jung⋅Kim, Min Jung⋅Marroquin, Shanna⋅Marroquin, Shanna⋅Murthy, Vaibhav⋅Murthy, Vaibhav⋅Ramani, Meghana⋅Ramani, Meghana⋅Hopke, Tabetha Gaile⋅Hopke, Tabetha Gaile⋅McCall, Jayden⋅McCall, Jayden⋅Choi, Seong-O⋅Choi, Seong-O⋅DeLong, 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, Ramesh⋅Pitchaimani, Arunkumar⋅Comer, 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, Jeffrey⋅Schulten, 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 I⋅Poblete, Horacio⋅Roh, HeeGwang⋅Couture, Jean-François⋅Comer, 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, Horacio⋅Poblete, Horacio⋅Agarwal, Anirudh⋅Agarwal, Anirudh⋅Thomas, Suma S.⋅Thomas, Suma S⋅Bohne, Cornelia⋅Bohne, Cornelia⋅Ravichandran, Ranjithkumar⋅Ravichandran, Ranjithkumar⋅Phopase, Jaywant⋅Phospase, Jaywant⋅Comer, Jeffrey⋅Comer, Jeffrey⋅Alarcon, 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, Valeria⋅Araya-Durán, Ingrid⋅Camarada, María Belén⋅Comer, Jeffrey⋅Valencia-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 T⋅Lee, Christopher T.⋅Comer, Jeffrey⋅Comer, Jeffrey⋅Herndon, Conner⋅Herndon, Conner⋅Leung, Nelson⋅Leung, Nelson⋅Pavlova, Anna⋅Pavlova, Anna⋅Swift, Robert V⋅Swift, Robert V.⋅Tung, Chris⋅Tung, Chris⋅Rowley, Christopher N⋅Rowley, Christopher N⋅Amaro, Rommie E.⋅Amaro, Rommie E⋅Chipot, Christophe⋅Chipot, Christophe⋅Wang, Yi⋅Wang, Yi⋅Gumbart, 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, Jeffrey⋅Chen, Ran⋅Poblete, Horacio⋅Vergara-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, Haohao⋅Comer, Jeffrey⋅Cai, 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, Jeffrey⋅Gumbart, James C⋅Hénin, Jérôme⋅Lelièvre, Tony⋅Pohorille, 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 Hameed⋅Comer, Jeffrey⋅Aksimentiev, Aleksei and Olson, Luke N
Communications in computational physics, vol. 15, (no. 1), January 2014. | Journal Article
 
Close encounters with DNA.
Maffeo, C⋅Yoo, J⋅Comer, J⋅Wells, D B⋅Luan, 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, Verónica⋅Vergara-Jaque, Ariela⋅Zuñiga, Matías⋅Comer, Jeffrey R⋅John, Amalraj⋅Nachtigall, Fabiane M⋅Valdes, Oscar⋅Duran-Lara, Esteban F⋅Sandoval, 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, Ariela⋅Comer, Jeffrey R⋅Monsalve, Luis⋅González-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, Manuela⋅Comer, Jeffrey R⋅Masscheleyn, Sandrine⋅Pebay-Peyroula, Eva⋅Chipot, Christophe⋅Miroux, 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, Cristian⋅Morales, Francisco A⋅Solar, Paula A⋅Herrera, Natalia S⋅Gonzalez-Nilo, Fernando D⋅Aguayo, Daniel A⋅Mendoza, Hegaly L⋅Comer, Jeffrey R⋅Bravo, Maria L⋅Gonzalez, Pamela A⋅Kato, Sumie⋅Cuello, Mauricio A⋅Alonso, Catalina⋅Bravo, Erasmo J⋅Bustamante, Eva I⋅Owen, 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 B⋅Belkin, Maxim⋅Comer, Jeffrey R and Aksimentiev, Aleksei
Nano letters, vol. 12, (no. 8), pp. 4117-23, 2012/Aug/8. | Journal Article