Piquemal, Jean-Philip, Perera, Lalith, Cisneros, G. Andrés, Ren, Pengyu, Pedersen, Lee G., Darden, Thomas A. (2006) Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure. The Journal of Chemical Physics, 125 (5). 54511pp. doi:10.1063/1.2234774

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Reference Type	Journal (article/letter/editorial)
Title	Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure
Journal	The Journal of Chemical Physics
Authors	Piquemal, Jean-Philip		Author
	Perera, Lalith		Author
	Cisneros, G. Andrés		Author
	Ren, Pengyu		Author
	Pedersen, Lee G.		Author
	Darden, Thomas A.		Author
Year	2006 (August 7)	Volume	125
Issue	5
Publisher	AIP Publishing
DOI	doi:10.1063/1.2234774Search in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	2308972	Long-form Identifier	mindat:1:5:2308972:7
GUID	0
Full Reference	Piquemal, Jean-Philip, Perera, Lalith, Cisneros, G. Andrés, Ren, Pengyu, Pedersen, Lee G., Darden, Thomas A. (2006) Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure. The Journal of Chemical Physics, 125 (5). 54511pp. doi:10.1063/1.2234774
Plain Text	Piquemal, Jean-Philip, Perera, Lalith, Cisneros, G. Andrés, Ren, Pengyu, Pedersen, Lee G., Darden, Thomas A. (2006) Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure. The Journal of Chemical Physics, 125 (5). 54511pp. doi:10.1063/1.2234774
In	(2006, August) The Journal of Chemical Physics Vol. 125 (5) AIP Publishing

	Piquemal, Jean-Philip, Cisneros, G. Andrés, Reinhardt, Peter, Gresh, Nohad, Darden, Thomas A. (2006) Towards a force field based on density fitting. The Journal of Chemical Physics, 124 (10). 104101pp. doi:10.1063/1.2173256
	Cisneros, G. Andrés, Piquemal, Jean-Philip, Darden, Thomas A. (2005) Intermolecular electrostatic energies using density fitting. The Journal of Chemical Physics, 123 (4). 44109pp. doi:10.1063/1.1947192
	Cisneros, G. Andrés, Piquemal, Jean-Philip, Darden, Thomas A. (2006) Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods. The Journal of Chemical Physics, 125 (18). 184101pp. doi:10.1063/1.2363374
	Gökcan, Hatice, Kratz, Eric, Darden, Thomas A., Piquemal, Jean-Philip, Cisneros, G. Andrés (2018) QM/MM Simulations with the Gaussian Electrostatic Model: A Density-based Polarizable Potential. The Journal of Physical Chemistry Letters, 9 (11). 3062-3067 doi:10.1021/acs.jpclett.8b01412
	Wang, Yanxing, Inizan, Théo Jaffrelot, Liu, Chengwen, Piquemal, Jean-Philip, Ren, Pengyu (2024) Incorporating Neural Networks into the AMOEBA Polarizable Force Field. The Journal of Physical Chemistry B, 128 (10) 2381-2388 doi:10.1021/acs.jpcb.3c08166
	Cisneros, G. Andrés, Elking, Dennis, Piquemal, Jean-Philip, Darden, Thomas A. (2007) Numerical Fitting of Molecular Properties to Hermite Gaussians. The Journal of Physical Chemistry A, 111 (47). 12049-12056 doi:10.1021/jp074817r
	Chaudret, Robin, Gresh, Nohad, Narth, Christophe, Lagardère, Louis, Darden, Thomas A., Cisneros, G. Andrés, Piquemal, Jean-Philip (2014) S/G-1: An ab Initio Force-Field Blending Frozen Hermite Gaussian Densities and Distributed Multipoles. Proof of Concept and First Applications to Metal Cations. The Journal of Physical Chemistry A, 118 (35). 7598-7612 doi:10.1021/jp5051657
	Cisneros, G. Andrés, Piquemal, Jean-Philip, Darden, Thomas A. (2006) Quantum Mechanics/Molecular Mechanics Electrostatic Embedding with Continuous and Discrete Functions. The Journal of Physical Chemistry B, 110 (28). 13682-13684 doi:10.1021/jp062768x
	*Herce, David H., Perera, Lalith, Darden, Thomas A., Sagui, Celeste (2005) Surface solvation for an ion in a water cluster. The Journal of Chemical Physics, 122 (2). 24513pp. doi:10.1063/1.1829635*
	Essmann, Ulrich, Perera, Lalith, Berkowitz, Max L., Darden, Tom, Lee, Hsing, Pedersen, Lee G. (1995) A smooth particle mesh Ewald method. The Journal of Chemical Physics, 103 (19). 8577-8593 doi:10.1063/1.470117
	*Perera, Lalith, Darden, Thomas A., Pedersen, Lee G. (2002) Predicted solution structure of zymogen human coagulation FVII. Journal of Computational Chemistry, 23 (1). 35-47 doi:10.1002/jcc.1155*

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