Bernd M. Rode - RankMe

18 papers Journal 18

Year	Rank	Type	Title / Venue / Authors
2011	J	`jnl`	Structure and dynamics of methanol in water: A quantum mechanical charge field molecular dynamics study. J. Comput. Chem. Syed Tarique Moin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
2010	J	`jnl`	An J. Comput. Chem. Chinapong Kritayakornupong, Viwat Vchirawongkwin, Bernd M. Rode
2010	J	`jnl`	Hydrated germanium (II): Irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study. J. Comput. Chem. Syed Sikander Azam, Len Herald V. Lim, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
2010	J	`jnl`	Temperature dependence of structure and dynamics of the hydrated Ca J. Comput. Chem. Len Herald V. Lim, Andreas B. Pribil, Andreas E. Ellmerer, Bernhard R. Randolf, Bernd M. Rode
2008	J	`jnl`	Structure and dynamics of phosphate ion in aqueous solution: An J. Comput. Chem. Andreas B. Pribil, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
2007	J	`jnl`	Quantum mechanical charge field molecular dynamics simulation of the TiO J. Comput. Chem. M. Qaiser Fatmi, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
2007	J	`jnl`	Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in water. J. Comput. Chem. Viwat Vchirawongkwin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
2007	J	`jnl`	Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation study. J. Comput. Chem. Viwat Vchirawongkwin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
2005	J	`jnl`	Structure-breaking effects of solvated Rb(I) in dilute aqueous solution - An ab initio QM/MM MD approach. J. Comput. Chem. Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode
2004	J	`jnl`	Characterization of dynamics and reactivities of solvated ions by ab initio simulations. J. Comput. Chem. Thomas S. Hofer, Hung T. Tran, Christian F. Schwenk, Bernd M. Rode
2004	J	`jnl`	Structure and dynamics of the Cr(III) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation. J. Comput. Chem. Chinapong Kritayakornupong, Kristof Plankensteiner, Bernd M. Rode
2003	J	`jnl`	Many-body effects on structure and dynamics of aqueous ionic solutions- Erratum. J. Comput. Chem. Hannes H. Loeffler, Bernd M. Rode
2001	J	`jnl`	Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycine. J. Comput. Chem. Hannes H. Loeffler, Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode
1999	J	`jnl`	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. Raimundo Gargallo, Christoph A. Sotriffer, Klaus R. Liedl, Bernd M. Rode
1998	J	`jnl`	Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures. J. Comput. Aided Mol. Des. Somsak Tonmunphean, Sirirat Kokpol, Vudhichai Parasuk, Peter Wolschann, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode
1996	J	`jnl`	Bidirectional molecular dynamics: Interpretation in terms of a modern formulation of classical mechanics. J. Comput. Chem. Teerakiat Kerdcharoen, Klaus R. Liedl, Bernd M. Rode
1996	J	`jnl`	Comparative docking studies on ligand binding to the multispecific antibodies IgE-La2 and IgE-Lb4. J. Comput. Aided Mol. Des. Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode, Janos M. Varga
1996	J	`jnl`	Quantum Pharmacological Analysis of Structure-Activity Relationships for Mefloquine Antimalarial Drugs Using Optimal Transformations. J. Chem. Inf. Comput. Sci. Vu Nguyen-Cong, Bernd M. Rode