Bernd M. Rode

2008
14	EE	Andreas B. Pribil, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode: Structure and dynamics of phosphate ion in aqueous solution: An ab initio QMCF MD study. Journal of Computational Chemistry 29(14): 2330-2334 (2008)
2007
13	EE	M. Qaiser Fatmi, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode: Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution. Journal of Computational Chemistry 28(10): 1704-1710 (2007)
12	EE	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. Journal of Computational Chemistry 28(6): 1006-1016 (2007)
11	EE	Viwat Vchirawongkwin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode: Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in water. Journal of Computational Chemistry 28(6): 1057-1067 (2007)
2005
10	EE	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. Journal of Computational Chemistry 26(9): 949-956 (2005)
2004
9	EE	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. Journal of Computational Chemistry 25(13): 1576-1583 (2004)
8	EE	Thomas S. Hofer, Hung T. Tran, Christian F. Schwenk, Bernd M. Rode: Characterization of dynamics and reactivities of solvated ions by ab initio simulations. Journal of Computational Chemistry 25(2): 211-217 (2004)
2003
7	EE	Hannes H. Loeffler, Bernd M. Rode: Many-body effects on structure and dynamics of aqueous ionic solutions- Erratum. Journal of Computational Chemistry 24(13): 1688 (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	Vu Nguyen-Cong, Bernd M. Rode: Quantum Pharmacological Analysis of Structure-Activity Relationships for Mefloquine Antimalarial Drugs Using Optimal Transformations. Journal of Chemical Information and Computer Sciences 36(1): 114-117 (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)

Coauthor Index

1	M. Qaiser Fatmi	[13]
2	Raimundo Gargallo	[5]
3	Thomas S. Hofer	[8] [10] [11] [12] [13] [14]
4	Teerakiat Kerdcharoen	[2]
5	Sirirat Kokpol	[4]
6	Chinapong Kritayakornupong	[9]
7	Klaus R. Liedl	[1] [2] [4] [5] [6]
8	Hannes H. Loeffler	[6] [7]
9	Vu Nguyen-Cong	[3]
10	Vudhichai Parasuk	[4]
11	Kristof Plankensteiner	[9]
12	Andreas B. Pribil	[14]
13	Bernhard R. Randolf	[10] [11] [12] [13] [14]
14	Christian F. Schwenk	[8]
15	Christoph A. Sotriffer	[1] [5] [6]
16	Somsak Tonmunphean	[4]
17	Hung T. Tran	[8]
18	Janos M. Varga	[1]
19	Viwat Vchirawongkwin	[11] [12]
20	Rudolf H. Winger	[1] [4] [6]
21	Peter Wolschann	[4]

Colors in the list of coauthors