Bernd M. Rode - researchr alias

researchr

You are not signed in
Sign in
Sign up

Viewing Publication 1 - 19 from 19

2011

Structure and dynamics of methanol in water: A quantum mechanical charge field molecular dynamics studySyed Tarique Moin, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode. jcc, 32(5):886-892, 2011. [doi]

2010

Hydrated germanium (II): Irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics studyS. Sikander Azam, Len Herald V. Lim, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode. jcc, 31(2):278-285, 2010. [doi]

An ::::ab initio:::: quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solutionChinapong Kritayakornupong, Viwat Vchirawongkwin, Bernd M. Rode. jcc, 31(8):1785-1792, 2010. [doi]

Temperature dependence of structure and dynamics of the hydrated Ca:::2+::: ion according to ::::ab initio:::: quantum mechanical charge field and classical molecular dynamicsLen Herald V. Lim, Andreas B. Pribil, Andreas E. Ellmerer, Bernhard R. Randolf, Bernd M. Rode. jcc, 31(6):1195-1200, 2010. [doi]

::::Ab Initio:::: quantum mechanical charge field study of hydrated bicarbonate ion: Structural and dynamical propertiesViwat Vchirawongkwin, Andreas B. Pribil, Bernd M. Rode. jcc, 31(2):249-257, 2010. [doi]

2008

Structure and dynamics of phosphate ion in aqueous solution: An ::::ab initio:::: QMCF MD studyAndreas B. Pribil, Thomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode. jcc, 29(14):2330-2334, 2008. [doi]

2007

2005

Structure-breaking effects of solvated Rb(I) in dilute aqueous solution - An ab initio QM/MM MD approachThomas S. Hofer, Bernhard R. Randolf, Bernd M. Rode. jcc, 26(9):949-956, 2005. [doi]

2004

Characterization of dynamics and reactivities of solvated ions by ab initio simulationsThomas S. Hofer, Hung T. Tran, Christian F. Schwenk, Bernd M. Rode. jcc, 25(2):211-217, 2004. [doi]

Structure and dynamics of the Cr(III) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulationChinapong Kritayakornupong, Kristof Plankensteiner, Bernd M. Rode. jcc, 25(13):1576-1583, 2004. [doi]

2003

Many-body effects on structure and dynamics of aqueous ionic solutions- ErratumHannes H. Loeffler, Bernd M. Rode. jcc, 24(13):1688, 2003. [doi]

2001

Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycineHannes H. Loeffler, Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode. jcc, 22(8):846-860, 2001. [doi]

1999

Application of multivariate data analysis methods to Comparative Molecular Field Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids componentsRaimundo Gargallo, Christoph A. Sotriffer, Klaus R. Liedl, Bernd M. Rode. jcamd, 13(6):611-623, 1999. [doi]

1998

Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structuresSomsak Tonmunphean, Sirirat Kokpol, Vudhichai Parasuk, Peter Wolschann, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode. jcamd, 12(4):397-409, 1998. [doi]

1996

Bidirectional molecular dynamics: Interpretation in terms of a modern formulation of classical mechanicsTeerakiat Kerdcharoen, Klaus R. Liedl, Bernd M. Rode. jcc, 17(13):1564-1570, 1996. [doi]

Quantum Pharmacological Analysis of Structure-Activity Relationships for Mefloquine Antimalarial Drugs Using Optimal TransformationsVu Nguyen-Cong, Bernd M. Rode. jcisd, 36(1):114-117, 1996. [doi]

Comparative docking studies on ligand binding to the multispecific antibodies IgE-La2 and IgE-Lb4Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode, Janos M. Varga. jcamd, 10(4):305-320, 1996.

Sign in or sign up to see more results.

runs on WebDSL