[IEEE 2008 Frontiers of Software Maintenance (FoSM) - Beijing, China (2008.09.28-2008.10.4)] 2008 Frontiers of Software Maintenance - Software analysis for security
- 作者Mancoridis, Spiros
- 文件大小189.49KB
- 发表时间2008
- DOI10.1109/FOSM.2008.4659254
- 页码109-118
Quantum-Classical Molecular Dynamics Simulations of Proton Transfer Processes in Molecular Complexes and in EnzymesBała, P.; Grochowski, P.; Lesyng, B.; McCammon, J. A. · The Journal of Physical Chemistry · 1996
Semiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimersGuallar, Victor; Batista, Victor S.; Miller, William H. · The Journal of Chemical Physics · 1999
Calculation of the Proton Transfer Rate Using Density Matrix Evolution and Molecular Dynamics Simulations: Inclusion of the Proton Excited StatesMavri, Janez; Berendsen, Herman J. C. · The Journal of Physical Chemistry · 1995
Restrained Proton Indicator in Combined Quantum-Mechanics/Molecular-Mechanics Dynamics Simulations of Proton Transfer through a Carbon NanotubeDuster, Adam W.; Lin, Hai · The Journal of Physical Chemistry B · 2017
Semiclassical molecular dynamics simulations of intramolecular proton transfer in photoexcited 2-(2[sup ʹ]-hydroxyphenyl)–oxazoleGuallar, Victor; Batista, Victor S.; Miller, William H. · The Journal of Chemical Physics · 2000
Applications of quantum-classical and quantum-stochastic molecular dynamics simulations for proton transfer processesP. Bala; B. Lesyng; J.A. McCammon · 1994
Impact of Mutation on Proton Transfer Reactions in Ketosteroid Isomerase: Insights from Molecular Dynamics SimulationsChakravorty, Dhruva K.; Hammes-Schiffer, Sharon · Journal of the American Chemical Society · 2010
Computer simulations of water—metal interfacesK. Heinzinger; E. Spohr · 1989
Kinetics of Proton Transport in WaterA. A. Kornyshev; A. M. Kuznetsov; E. Spohr; J. Ulstrup · 2003
On the hydration of the beryllium ionM.M. Probst; E. Spohr; K. Heinzinger · 1989
Computer simulation of the water/platinum interfaceSpohr, E. · The Journal of Physical Chemistry · 1989
Molecular dynamics simulation of a water/metal interfaceE. Spohr; K. Heinzinger · 1986
Modeling proton transfer to charged silver electrodesF. Wilhelm; W. Schmickler; R. Nazmutdinov; E. Spohr · 2011
Molecular dynamics study of electrolyte-filled poresC. Hartnig; W. Witschel; E. Spohr · 1998
On the mechanism of electrochemical ion transfer reactionsO. Pecina; W. Schmickler; E. Spohr · 1995
Molecular modelling of cation–π interactionsLamoureux, Guillaume; Orabi, Esam A. · Molecular Simulation · 2012
Molecular simulations in generalised ensembleOkamoto, Yuko · Molecular Simulation · 2012
Multiscale modelling of asphaltene disaggregationStoyanov, Stanislav R.; Gusarov, Sergey; Kovalenko, Andriy · Molecular Simulation · 2008
Leapfrog Rotational AlgorithmsFincham, David · Molecular Simulation · 1992
A force field for naproxenRömer, Frank; Kraska, Thomas · Molecular Simulation · 2012
Inverse Problem in Materials ScienceRudnyi, E. B.; Kuzmenko, V. V.; Voronin, G. F. · Molecular Simulation · 2000
Leapfrog Rotational Algorithms for Linear MoleculesFincham, David · Molecular Simulation · 1993
Interfaces in Molecular DockingMitchell, Julie C.; Shahbaz, Sharokina; Ten Eyck, Lynn F. · Molecular Simulation · 2004