2003 |
8 | EE | Markus J. Loferer,
Hannes H. Loeffler,
Klaus R. Liedl:
A QM-MM interface between CHARMM and TURBOMOLE: Implementation and application to systems in bulk phase and biologically active systems.
Journal of Computational Chemistry 24(10): 1240-1249 (2003) |
7 | EE | Christofer S. Tautermann,
Andreas F. Voegele,
Thomas Loerting,
Peter Kaps,
Klaus R. Liedl:
Extended method for adiabatic mode reordering.
Journal of Computational Chemistry 24(3): 386-395 (2003) |
2001 |
6 | EE | Hannes H. Loeffler,
Christoph A. Sotriffer,
Rudolf H. Winger,
Klaus R. Liedl,
Bernd M. Rode:
Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycine.
Journal of Computational Chemistry 22(8): 846-860 (2001) |
1999 |
5 | EE | Raimundo Gargallo,
Christoph A. Sotriffer,
Klaus R. Liedl,
Bernd M. Rode:
Application of multivariate data analysis methods to Comparative Molecular Field Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids components.
Journal of Computer-Aided Molecular Design 13(6): 611-623 (1999) |
1998 |
4 | EE | Somsak Tonmunphean,
Sirirat Kokpol,
Vudhichai Parasuk,
Peter Wolschann,
Rudolf H. Winger,
Klaus R. Liedl,
Bernd M. Rode:
Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures.
Journal of Computer-Aided Molecular Design 12(4): 397-409 (1998) |
1996 |
3 | EE | Romano T. Kroemer,
Peter Hecht,
Klaus R. Liedl:
Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials.
Journal of Computational Chemistry 17(11): 1296-1308 (1996) |
2 | EE | Teerakiat Kerdcharoen,
Klaus R. Liedl,
Bernd M. Rode:
Bidirectional molecular dynamics: Interpretation in terms of a modern formulation of classical mechanics.
Journal of Computational Chemistry 17(13): 1564-1570 (1996) |
1 | | Christoph A. Sotriffer,
Rudolf H. Winger,
Klaus R. Liedl,
Bernd M. Rode,
Janos M. Varga:
Comparative docking studies on ligand binding to the multispecific antibodies IgE-La2 and IgE-Lb4.
Journal of Computer-Aided Molecular Design 10(4): 305-320 (1996) |