QM/MM description of platinum–DNA interactions: comparison of binding and DNA distortion of five drugs

A Bond Path and an Attractive Ehrenfest Force Do Not Necessarily Indicate Bonding Interactions: Case Study on M2X2 (M=Li, Na, K; X=H, OH, F, Cl)

(2012) Piotr Dem'yanov et al.   CHEMISTRY-A EUROPEAN JOURNAL

Detecting DNA Mismatches with Metallo-Insertors: A Molecular Simulation Study

(2012) Attilio V. Vargiu et al.   INORGANIC CHEMISTRY

Binding of piano-stool Ru(II) complexes to DNA; QM/MM study

(2012) Zdeněk Futera et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Cisplatin cytotoxicity: a theoretical study of induced mutations

(2012) José P. Cerón-Carrasco et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

QM/MM studies of cisplatin complexes with DNA dimer and octamer

(2012) Konstantinos Gkionis et al.   Computational and Theoretical Chemistry

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   Journal of Chemical Theory and Computation

On the non-existence of parallel universes in chemistry

(2011) Richard F. W. Bader   Foundations of Chemistry

A theoretical study of Ru(II) polypyridyl DNA intercalatorsStructure and electronic absorption spectroscopy of [Ru(phen)2(dppz)]2+ and [Ru(tap)2(dppz)]2+ complexes intercalated in guanine–cytosine base pairs

(2010) David Ambrosek et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Performance of Becke’s half-and-half functional for non-covalent interactions: energetics, geometries and electron densities

(2009) Konstantinos Gkionis et al.   JOURNAL OF MOLECULAR MODELING

Bond Paths Are Not Chemical Bonds

(2009) Richard F. W. Bader   JOURNAL OF PHYSICAL CHEMISTRY A

Combined QM/MM and Classical Molecular Dynamics Study of [Ru(bpy)3]2+in Water

(2009) Marc-Etienne Moret et al.   JOURNAL OF PHYSICAL CHEMISTRY B