| Publications: | | "Structures and vibrational frequencies of the quinones in
Rb. Sphaeroides derived by a combined
density functional / molecular mechanics approach."
M. Nonella, G. Mathias, M. Eichinger, and P. Tavan
J. Phys. Chem. B 107: 316-322 (2003) details
"Berechnung molekularer Eigenschaften in komplexer Lösungsmittelumgebung: Dichtefunktionaltheorie kombiniert mit einem Molekularmechanik-Kraftfeld"
M. Eichinger
Doktorarbeit, Institut für Medizinische Optik der LMU, Fakultät für Physik, LMU München details
"A hybrid method for solutes in complex solvents: Density functional theory combined with empirical force fields"
M. Eichinger, P. Tavan, J. Hutter und M. Parrinello
J. Chem. Phys. 110: 10452-10467 (1999) details
"Conformational dynamics simulations of proteins."
M. Eichinger, B. Heymann, H. Heller, H. Grubmüller, and P. Tavan
IN: P. Deuflhard et al., eds., Computaional Molecular Dynamics: Challenges, Methods, Ideas. Vol. 4 of Lecture Notes in Computational Science and Engineering. (Springer, Heildelberg, 1998) pp. 74-93. details
"FAMUSAMM: A new algorithm for rapid evaluation of electrostatic interactions in molecular dynamics simulations"
M. Eichinger, H. Grubmüller, H. Heller, P. Tavan
J. Comput. Chem. 18: 1729-1749, 1997 details
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