Jeff Comer 
Centre National de la Recherche Scientifique
E-mail :

Biographical sketch

Jeffrey Comer was born in the state of Ohio, USA, in 1983. He received his B.Sc., summa cum laude, in physics in 2005 from the University of Akron. He was then accepted into the graduate physics program at the University of Illinois at Urbana-Champaign, where he joined the group of Aleksei Aksimentiev and investigated systems at the interface of biology and nanotechnology through molecular dynamics, Brownian dynamics, and other computational methods. He received his Ph.D. in 2010, defending a dissertation entitled "Nanopore Technology for DNA Sequencing." After a short post-doctoral position with the Aksimentiev Group, in 2011 he became a post-doctoral researcher at Fraunhofer Chile Research in Santiago, Chile under the supervision of Fernando D. González-Nilo with support from the Universidad de Talca and Universidad Andres Bello. While in Chile, he performed computational studies of dendrimer–nucleic acid interaction. In 2013, he moved to Nancy, France and became a CNRS researcher in the group of Christophe Chipot. Jeff's research interests include improved dynamical models of nanoscale biological and technological systems and method development for accessing broad spatial and temporal scales.

Research areas
Statistical mechanics simulations, free-energy calculations systems, nanomolecular systems.

Selected publications
  1. Comer, J.; Chipot, C.; González-Nilo, F.D., Calculating Position-Dependent Diffusivity in Biased Molecular Dynamics Simulations, J. Chem. Theor. Comput. 2013,
  2. Comer, J.; Aksimentiev, A., Predicting the DNA Sequence Dependence of Nanopore Ion Current Using Atomic-Resolution Brownian Dynamics, J. Comput. Chem. C 2012, 116, 3376–3393.
  3. Carr, R.; Comer, J.; Ginsberg, M.; Hock, V.; Aksimentiev, A., Atoms-to-microns Model for Small Solute Transport through Sticky Nanochannels, Lab on a Chip 2011, 11, 3766–3773.
  4. Carr, R.; Comer, J.; Ginsberg, M.; Hock, V.; Aksimentiev, A., Microscopic Perspective on the Adsorption Isotherm of a Heterogeneous Surface, J. Phys. Chem. Lett. 2011, 2, 1804-1807.
  5. Comer, J.; Dimitrov, V.; Zhao, Q.; Timp, G.; Aksimentiev, A., Microscopic Mechanics of Hairpin DNA Translocation through Synthetic Nanopores, Biophys. J. 2009, 96, 593–608.

Recent publications

Water-Controlled Switching in Rotaxanes
Shuangli Du; Haohao Fu; Xueguang Shao; Christophe Chipot; Wensheng Cai;
The Journal of Physical Chemistry C (2018) 122 (16): 9229-9234

Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA
Hong Zhang; Hugo Gattuso; Elise Dumont; Wensheng Cai; Antonio Monari; Christophe Chipot; Francois Dehez;
Molecules (2018) 23 (2): 129-
BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations
Haohao Fu; James C. Gumbart; Haochuan Chen; Xueguang Shao; Wensheng Cai; Christophe Chipot;
Journal of Chemical Information and Modeling (2018) 58 (3): 556-560


- Renewal of the Laboratoire International Associé CNRS-University of Illinois at Urbana-Champaign on November 2016
- An update of ParseFEP is available in the latest version of VMD.
- 新的分子动力学讲义 (Dissemination).


Laboratoire International Associé
Unité mixte de recherche n°7565
Université de Lorraine, B.P. 70239
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