Theoretical modeling of the heme group with a hybrid QM/MM method
Jean‐Didier Maréchal(Universitat Autònoma de Barcelona), David Pérahia(École Normale Supérieure Paris-Saclay), Liliane Mouawad(Centre National de la Recherche Scientifique), Feliu Maseras(Institut Català d'Investigació Química), Agustı́ Lledós(Universitat Autònoma de Barcelona), Guada Barea(Universitat Autònoma de Barcelona)
Journal of Computational Chemistry
March 1, 2000
Cited by 1
Related Papers
Evaluation of the configurational entropy for proteins: application to molecular dynamics simulations of an α-helix
|Macromolecules|1984|248
Internal and interfacial dielectric properties of cytochrome c from molecular dynamics in aqueous solution.
|Proceedings of the National Academy of Sciences|1995|213
Prescribing patterns of antidepressants in Europe: Results from the Factors Influencing Depression Endpoints Research (FINDER) study
|European Psychiatry|2008|186
Interdomain motion in liver alcohol dehydrogenase. Structural and energetic analysis of the hinge bending mode.
|Journal of Biological Chemistry|1986|159
Molecular dynamics of an α-helical polypeptide: Temperature dependence and deviation from harmonic behavior
|Proceedings of the National Academy of Sciences|1982|131