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Current Opinion in Structural Biology, ISSN 0959-440X, 2006, Volume 16, Issue 2, pp. 142 - 151
Journal Article
Photosynthesis Research, ISSN 0166-8595, 7/2008, Volume 97, Issue 1, pp. 55 - 74
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 10/2002, Volume 106, Issue 42, pp. 11026 - 11035
The accuracy of continuum electrostatic models, in which the solvent is represent as a featureless dielectric medium, depends sensitively on the choice of the... 
FREE-ENERGY CALCULATIONS | BORN MODEL | EXPLICIT SOLVENT | EMPIRICAL FORCE-FIELD | POISSON-BOLTZMANN | CHEMISTRY, PHYSICAL | COMPUTER-SIMULATIONS | POTENTIAL FUNCTIONS | MOLECULAR-DYNAMICS SIMULATIONS | HISTOGRAM ANALYSIS METHOD | AQUEOUS-SOLUTION | Molecular dynamics | Continuum mechanics | Nucleic acids | Research
Journal Article
Zeitschrift fur Physikalische Chemie, ISSN 0942-9352, 05/2016, Volume 230, Issue 5-7, pp. 681 - 701
AbstractWe introduce a hybrid Gaussian charge distribution model (HGM) that partitions the molecular electron density into overlapping spherical atomic... 
Hybrid Gaussian Charge Distribution Model | Continuum Solvent Models | Van-der-Waals Radii | Force Fields | Solvent Effects
Journal Article
Journal Article
Biophysical Journal, ISSN 0006-3495, 2003, Volume 84, Issue 4, pp. 2256 - 2263
The iron storage protein ferritin contains threefold and fourfold symmetric channels that are thought to provide pathways for the transfer of Fe ions in and... 
RECOMBINANT-HUMAN-H | IRON UPTAKE | ENERGY | PROFILES | BIOPHYSICS | HIGH-RESOLUTION | CONTINUUM | ION CHANNELS | SITE-DIRECTED MUTAGENESIS | BROWNIAN DYNAMICS | PERMEATION | Calcium channels | Analysis | Ferritin | Neurotransmitters | Static electricity
Journal Article
by Jo, S and Kim, T and Iyer, VG and Im, W
JOURNAL OF COMPUTATIONAL CHEMISTRY, ISSN 0192-8651, 08/2008, Volume 29, Issue 11, pp. 1859 - 1865
Journal Article