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Olano, L. Renee, Rick, Steven W. (2005) Fluctuating charge normal modes: An algorithm for implementing molecular dynamics simulations with polarizable potentials. Journal of Computational Chemistry, 26 (7). 699-707 doi:10.1002/jcc.20212

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Reference TypeJournal (article/letter/editorial)
TitleFluctuating charge normal modes: An algorithm for implementing molecular dynamics simulations with polarizable potentials
JournalJournal of Computational Chemistry
AuthorsOlano, L. ReneeAuthor
Rick, Steven W.Author
Year2005 (May)Volume26
Issue7
PublisherWiley
DOIdoi:10.1002/jcc.20212Search in ResearchGate
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Mindat Ref. ID3148488Long-form Identifiermindat:1:5:3148488:4
GUID0
Full ReferenceOlano, L. Renee, Rick, Steven W. (2005) Fluctuating charge normal modes: An algorithm for implementing molecular dynamics simulations with polarizable potentials. Journal of Computational Chemistry, 26 (7). 699-707 doi:10.1002/jcc.20212
Plain TextOlano, L. Renee, Rick, Steven W. (2005) Fluctuating charge normal modes: An algorithm for implementing molecular dynamics simulations with polarizable potentials. Journal of Computational Chemistry, 26 (7). 699-707 doi:10.1002/jcc.20212
In(2005, May) Journal of Computational Chemistry Vol. 26 (7) Wiley

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Rick, Steven W. (2016) A polarizable, charge transfer model of water using the drude oscillator. Journal of Computational Chemistry, 37 (22). 2060-2066 doi:10.1002/jcc.24426
Lorenzo, Luis, Mosquera, Ricardo A. (2003) A box-counting-based algorithm for computing Shannon entropy in molecular dynamics simulations. Journal of Computational Chemistry, 24 (6). 707-713 doi:10.1002/jcc.10192
Patel, Sandeep, Mackerell, Alexander D., Brooks, Charles L. (2004) CHARMM fluctuating charge force field for proteins: II Protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model. Journal of Computational Chemistry, 25 (12). 1504-1514 doi:10.1002/jcc.20077
Tesi, Marina, Cammi, Roberto, Granucci, Giovanni, Persico, Maurizio (2024) An algorithm for very high pressure molecular dynamics simulations. Journal of Computational Chemistry, 45 (32). doi:10.1002/jcc.27461
Olano, L. Renee, Rick, Steven W. (2004) Hydration Free Energies and Entropies for Water in Protein Interiors. Journal Of The American Chemical Society, 126 (25) 7991-8000 doi:10.1021/ja049701c
Schröder, Christian, Lyons, Alex, Rick, Steven W. (2020) Polarizable MD simulations of ionic liquids: How does additional charge transfer change the dynamics?. Physical Chemistry Chemical Physics, 22 (2). 467-477 doi:10.1039/c9cp05478b
Banerjee, Sanjay, Board, John A. (2005) Efficient charge assignment and back interpolation in multigrid methods for molecular dynamics. Journal of Computational Chemistry, 26 (9). 957-967 doi:10.1002/jcc.20220
Bass, Michael B., Ornstein, Rick L. (1993) Substrate specificity of cytochrome P450cam forL- andD- norcamphor as studied by molecular dynamics simulations. Journal of Computational Chemistry, 14 (5). 541-548 doi:10.1002/jcc.540140506
Götz, Andreas W., Clark, Matthew A., Walker, Ross C. (2014) An extensible interface for QM/MM molecular dynamics simulations with AMBER. Journal of Computational Chemistry, 35 (2). 95-108 doi:10.1002/jcc.23444
Rick, Steven W., Cachau, R. E. (2000) The nonplanarity of the peptide group: Molecular dynamics simulations with a polarizable two-state model for the peptide bond. The Journal of Chemical Physics, 112 (11). 5230-5241 doi:10.1063/1.481078
Patel, Sandeep, Brooks, Charles L. (2004) CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations. Journal of Computational Chemistry, 25 (1). 1-16 doi:10.1002/jcc.10355
 
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