Peptides and the origin of life1 BM Rode Peptides 20 (6), 773-786, 1999 | 401 | 1999 |
Characterization of dynamics and reactivities of solvated ions by ab initio simulations TS Hofer, HT Tran, CF Schwenk, BM Rode Journal of computational chemistry 25 (2), 211-217, 2004 | 282 | 2004 |
Born−Oppenheimer ab Initio QM/MM Dynamics Simulations of Na+ and K+ in Water: From Structure Making to Structure Breaking Effects A Tongraar, KR Liedl, BM Rode The Journal of Physical Chemistry A 102 (50), 10340-10347, 1998 | 265 | 1998 |
A QM/MM simulation method applied to the solution of Li+ in liquid ammonia T Kerdcharoen, KR Liedl, BM Rode Chemical physics 211 (1-3), 313-323, 1996 | 217 | 1996 |
Molecular dynamics and x-ray investigation of an aqueous calcium chloride solution MM Probst, T Radnai, K Heinzinger, P Bopp, BM Rode The Journal of Physical Chemistry 89 (5), 753-759, 1985 | 210 | 1985 |
Ab initio quantum mechanical charge field (QMCF) molecular dynamics: a QM/MM–MD procedure for accurate simulations of ions and complexes BM Rode, TS Hofer, BR Randolf, CF Schwenk, D Xenides, ... Theoretical Chemistry Accounts 115, 77-85, 2006 | 199 | 2006 |
Effect of metal ions (Li+, Na+, K+, Mg2+, Ca2+, Ni2+, Cu2+, and Zn2+) and water coordination on the structure of glycine and zwitterionic glycine M Remko, BM Rode The Journal of Physical Chemistry A 110 (5), 1960-1967, 2006 | 194 | 2006 |
Coordination and ligand exchange dynamics of solvated metal ions BM Rode, CF Schwenk, TS Hofer, BR Randolf Coordination Chemistry Reviews 249 (24), 2993-3006, 2005 | 190 | 2005 |
Solvation of Ca2+ in Water Studied by Born−Oppenheimer ab Initio QM/MM Dynamics A Tongraar, KR Liedl, BM Rode The Journal of Physical Chemistry A 101 (35), 6299-6309, 1997 | 168 | 1997 |
Molecular dynamics simulations of in water: Comparison of a classical simulation including three-body corrections and Born–Oppenheimer ab initio and … CF Schwenk, HH Loeffler, BM Rode The Journal of Chemical Physics 115 (23), 10808-10813, 2001 | 158 | 2001 |
The hydration structure of the lithium ion HH Loeffler, BM Rode The Journal of chemical physics 117 (1), 110-117, 2002 | 155 | 2002 |
Structure of liquid N, N-dimethylformamide studied by means of X-ray diffraction. H Ohtaki, S Itoh, T Yamaguchi, S Ishiguro, BM Rode Bulletin of the Chemical Society of Japan 56 (11), 3406-3409, 1983 | 144 | 1983 |
Structure and Dynamics of Sulfate Ion in Aqueous SolutionAn ab initio QMCF MD Simulation and Large Angle X-ray Scattering Study V Vchirawongkwin, BM Rode, I Persson The Journal of Physical Chemistry B 111 (16), 4150-4155, 2007 | 131 | 2007 |
The structure of liquid formamide studied by means of X-ray diffraction and ab initio LCGO-MO-SCF calculations. H Ohtaki, A Funaki, BM Rode, GJ Reibnegger Bulletin of the Chemical Society of Japan 56 (7), 2116-2121, 1983 | 125 | 1983 |
Structure and ultrafast dynamics of liquid water: A quantum mechanics/molecular mechanics molecular dynamics simulations study D Xenides, BR Randolf, BM Rode The Journal of chemical physics 122 (17), 2005 | 120 | 2005 |
Silica, alumina and clay catalyzed peptide bond formation: enhanced efficiency of alumina catalyst J Bujdák, BM Rode Origins of Life and Evolution of the Biosphere 29, 451-461, 1999 | 118 | 1999 |
Possible role of copper and sodium chloride in prebiotic evolution of peptides MG Schwendinger, BM Rode Analytical Sciences 5 (4), 411-414, 1989 | 117 | 1989 |
“Structure Breaking” Effect of Hydrated Cs+ CF Schwenk, TS Hofer, BM Rode The Journal of Physical Chemistry A 108 (9), 1509-1514, 2004 | 113 | 2004 |
The influence of Li+, Na+, Mg2+, Ca2+, and Zn2+ ions on the hydrogen bonds of the Watson–Crick base pairs EHS Anwander, MM Probst, BM Rode Biopolymers: Original Research on Biomolecules 29 (4‐5), 757-769, 1990 | 113 | 1990 |
Automated docking of ligands to antibodies: methods and applications CA Sotriffer, W Flader, RH Winger, BM Rode, KR Liedl, JM Varga Methods 20 (3), 280-291, 2000 | 111 | 2000 |