| 1 |
Dielectric Pearl-Necklace Model of Flexible Polyelectrolytes for Electrostatic Solvation Energy Calculations
Roig AR, Alessandrini JL
Journal of Polymer Science Part B: Polymer Physics, 54(17), 1748, 2016 |
| 2 |
Combining geometric pocket detection and desolvation properties to detect putative ligand binding sites on proteins
Schneider S, Zacharias M
Journal of Structural Biology, 180(3), 546, 2012 |
| 3 |
Structure and properties of NaCl and the Suzuki phase Na6CdCl8
Chall M, Winkler B, Blaha P, Schwarz K
Journal of Physical Chemistry B, 104(6), 1191, 2000 |
| 4 |
Shape and size of simple cations in aqueous solutions: A theoretical reexamination of the hydrated ion via computer simulations
Martinez JM, Pappalardo RR, Marcos ES
Journal of Chemical Physics, 110(3), 1669, 1999 |
| 5 |
Cluster ion thermodynamic properties: The liquid drop model revisited
Peslherbe GH, Ladanyi BM, Hynes JT
Journal of Physical Chemistry A, 103(15), 2561, 1999 |
| 6 |
Analysis of electrostatic potential truncation schemes in simulations of polar solvents
Aqvist J, Hansson T
Journal of Physical Chemistry B, 102(19), 3837, 1998 |
| 7 |
Use of multiple molecular dynamics trajectories to study biomolecules in solution : The YTGP peptide
Worth GA, Nardi F, Wade RC
Journal of Physical Chemistry B, 102(32), 6260, 1998 |
| 8 |
Trimethyl-P-Benzoquinone Provides Excellent Structural, Spectroscopic, and Thermochemical Models for Plastoquinone-1 and Its Radical-Anion
Wise KE, Grafton AK, Wheeler RA
Journal of Physical Chemistry A, 101(6), 1160, 1997 |
| 9 |
Atomic Radii for Continuum Electrostatics Calculations Based on Molecular-Dynamics Free-Energy Simulations
Nina M, Beglov D, Roux B
Journal of Physical Chemistry B, 101(26), 5239, 1997 |
| 10 |
On the Effects of Truncating the Electrostatic Interactions - Free-Energies of Ion Hydration
Kalko SG, Sese G, Padro JA
Journal of Chemical Physics, 104(23), 9578, 1996 |
