Bernd M. Rode

Publication Activity (10 Years)

Years Active: 1996-2011
Publications (10 Years): 0

Publications

Syed Tarique Moin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
Structure and dynamics of methanol in water: A quantum mechanical charge field molecular dynamics study. J. Comput. Chem. 32 (5) (2011)
Syed Sikander Azam, Len Herald V. Lim, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
Hydrated germanium (II): Irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study. J. Comput. Chem. 31 (2) (2010)
Chinapong Kritayakornupong, Viwat Vchirawongkwin, Bernd M. Rode
quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solution. J. Comput. Chem. 31 (8) (2010)
Len Herald V. Lim, Andreas B. Pribil, Andreas E. Ellmerer, Bernhard R. Randolf, Bernd M. Rode
quantum mechanical charge field and classical molecular dynamics. J. Comput. Chem. 31 (6) (2010)
Viwat Vchirawongkwin, Andreas B. Pribil, Bernd M. Rode
quantum mechanical charge field study of hydrated bicarbonate ion: Structural and dynamical properties. J. Comput. Chem. 31 (2) (2010)
Andreas B. Pribil, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
QMCF MD study. J. Comput. Chem. 29 (14) (2008)
M. Qaiser Fatmi, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
ion in aqueous solution. J. Comput. Chem. 28 (10) (2007)
Viwat Vchirawongkwin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in water. J. Comput. Chem. 28 (6) (2007)
Viwat Vchirawongkwin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation study. J. Comput. Chem. 28 (6) (2007)
Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
Structure-breaking effects of solvated Rb(I) in dilute aqueous solution - An ab initio QM/MM MD approach. J. Comput. Chem. 26 (9) (2005)
Chinapong Kritayakornupong, Kristof Plankensteiner, Bernd M. Rode
Structure and dynamics of the Cr(III) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation. J. Comput. Chem. 25 (13) (2004)
Thomas S. Hofer, Hung T. Tran, Christian F. Schwenk, Bernd M. Rode
Characterization of dynamics and reactivities of solvated ions by ab initio simulations. J. Comput. Chem. 25 (2) (2004)
Hannes H. Loeffler, Bernd M. Rode
Many-body effects on structure and dynamics of aqueous ionic solutions- Erratum. J. Comput. Chem. 24 (13) (2003)
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. J. Comput. Chem. 22 (8) (2001)
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. J. Comput. Aided Mol. Des. 13 (6) (1999)
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. J. Comput. Aided Mol. Des. 12 (4) (1998)
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. J. Comput. Aided Mol. Des. 10 (4) (1996)
Teerakiat Kerdcharoen, Klaus R. Liedl, Bernd M. Rode
Bidirectional molecular dynamics: Interpretation in terms of a modern formulation of classical mechanics. J. Comput. Chem. 17 (13) (1996)
Vu Nguyen-Cong, Bernd M. Rode
Quantum Pharmacological Analysis of Structure-Activity Relationships for Mefloquine Antimalarial Drugs Using Optimal Transformations. J. Chem. Inf. Comput. Sci. 36 (1) (1996)