Jessica M. Swanson
Affiliations: | 2006 | University of California, San Diego, La Jolla, CA |
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"Jessica Swanson"Mean distance: 8.42 | S | N | B | C | P |
Parents
Sign in to add mentor| J. Andrew McCammon | grad student | 2006 | UCSD | |
| (Characterizing biomolecular recognition and solvation with end-point free energy calculations and implicit solvent models.) | ||||
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Publications
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| Lee S, Liang R, Voth GA, et al. (2016) Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins. Journal of Chemical Theory and Computation |
| Nelson JG, Peng Y, Silverstein DW, et al. (2014) Multiscale Reactive Molecular Dynamics for Absolute pK a Predictions and Amino Acid Deprotonation. Journal of Chemical Theory and Computation. 10: 2729-2737 |
| Izvekov S, Swanson JM. (2011) Using force-matching to reveal essential differences between density functionals in ab initio molecular dynamics simulations. The Journal of Chemical Physics. 134: 194109 |
| Swanson JM, Wagoner JA, Baker NA, et al. (2007) Optimizing the Poisson Dielectric Boundary with Explicit Solvent Forces and Energies: Lessons Learned with Atom-Centered Dielectric Functions. Journal of Chemical Theory and Computation. 3: 170-83 |
| Dzubiella J, Swanson JM, McCammon JA. (2006) Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models. Physical Review Letters. 96: 087802 |
| Dzubiella J, Swanson JM, McCammon JA. (2006) Coupling nonpolar and polar solvation free energies in implicit solvent models. The Journal of Chemical Physics. 124: 084905 |
| Swanson JM, Adcock SA, McCammon JA. (2005) Optimized Radii for Poisson-Boltzmann Calculations with the AMBER Force Field. Journal of Chemical Theory and Computation. 1: 484-93 |
| Swanson JM, Mongan J, McCammon JA. (2005) Limitations of atom-centered dielectric functions in implicit solvent models. The Journal of Physical Chemistry. B. 109: 14769-72 |
| Minh DD, Bui JM, Chang CE, et al. (2005) The entropic cost of protein-protein association: a case study on acetylcholinesterase binding to fasciculin-2. Biophysical Journal. 89: L25-7 |
| Swanson JM, Henchman RH, McCammon JA. (2004) Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy. Biophysical Journal. 86: 67-74 |