Year |
Citation |
Score |
2016 |
Lee S, Liang R, Voth GA, Swanson JM. Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins. Journal of Chemical Theory and Computation. PMID 26734942 DOI: 10.1021/Acs.Jctc.5B01109 |
0.35 |
|
2014 |
Nelson JG, Peng Y, Silverstein DW, Swanson JM. Multiscale Reactive Molecular Dynamics for Absolute pK a Predictions and Amino Acid Deprotonation. Journal of Chemical Theory and Computation. 10: 2729-2737. PMID 25061442 DOI: 10.1021/Ct500250F |
0.64 |
|
2011 |
Izvekov S, Swanson JM. Using force-matching to reveal essential differences between density functionals in ab initio molecular dynamics simulations. The Journal of Chemical Physics. 134: 194109. PMID 21599046 DOI: 10.1063/1.3591374 |
0.302 |
|
2007 |
Swanson JM, Wagoner JA, Baker NA, McCammon JA. 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. PMID 26627162 DOI: 10.1021/ct600216k |
0.627 |
|
2006 |
Dzubiella J, Swanson JM, McCammon JA. Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models. Physical Review Letters. 96: 087802. PMID 16606226 DOI: 10.1103/Physrevlett.96.087802 |
0.622 |
|
2006 |
Dzubiella J, Swanson JM, McCammon JA. Coupling nonpolar and polar solvation free energies in implicit solvent models. The Journal of Chemical Physics. 124: 084905. PMID 16512740 DOI: 10.1063/1.2171192 |
0.622 |
|
2005 |
Swanson JM, Adcock SA, McCammon JA. Optimized Radii for Poisson-Boltzmann Calculations with the AMBER Force Field. Journal of Chemical Theory and Computation. 1: 484-93. PMID 26641515 DOI: 10.1021/Ct049834O |
0.535 |
|
2005 |
Swanson JM, Mongan J, McCammon JA. Limitations of atom-centered dielectric functions in implicit solvent models. The Journal of Physical Chemistry. B. 109: 14769-72. PMID 16852866 DOI: 10.1021/Jp052883S |
0.64 |
|
2005 |
Minh DD, Bui JM, Chang CE, Jain T, Swanson JM, McCammon JA. The entropic cost of protein-protein association: a case study on acetylcholinesterase binding to fasciculin-2. Biophysical Journal. 89: L25-7. PMID 16100267 DOI: 10.1529/Biophysj.105.069336 |
0.623 |
|
2004 |
Swanson JM, Henchman RH, McCammon JA. Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy. Biophysical Journal. 86: 67-74. PMID 14695250 DOI: 10.1016/S0006-3495(04)74084-9 |
0.671 |
|
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