in press
This folder holds the following references to publications, sorted by year and author.
There are 7 references in this bibliography folder.
Bondar A, Smith J, and Elstner M (in press).
Mechanism of a Proton Pump Analyzed with Computer Simulations.
Theoretical Chemistry Accounts.
Lu B, Cheng X, Huang J, and McCammon J (in press).
An Improved Poisson-Boltzmann Solver Using an Adaptive Fast Multipole Method.
Journal of Chemical Theory and Computation.
Petridis L, Xu J, Crowley M, Smith J, and Cheng X (in press).
Atomistic Simulation of Lignocellulosic Biomass and Associated Cellulosomal Protein Complexes.
Biofuels: ACS.
Saharay M, Guo H, Smith J, and Guo H (in press).
QM/MM Analysis of Cellulase Active Sites and Actions of the Enzymes on Substrates.
Biofuels: ACS.
Thukral L, Smith J, and Daidone I (in press).
Common Folding Mechanism of a Beta-Hairpin Peptide via Non-Native Turn Formation Revealed by Unbiased Molecular Dynamics Simulations.
Journal of the American Chemical Society.
Ulmschneider J, Smith J, Killian A, and Ulmschneider M (in press).
Folding of Membrane-Embedded Peptides.
Journal of Chemical Theory and Computation.
Xu Q, Chu Y, Guo HB, Smith J, and Guo H (in press).
Energy Triplets for Writing Epigenetic Marks: Insights from QM/MM Free Energy Simulations of Protein Lysine Methyltransferases.
Chemistry: A European Journal.
