Christine Peter
Christine Peter
Professor of Computational Chemistry, University of Konstanz
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The GROMOS software for biomolecular simulation: GROMOS05
M Christen, PH Hünenberger, D Bakowies, R Baron, R Bürgi, DP Geerke, ...
Journal of computational chemistry 26 (16), 1719-1751, 2005
Multiscale simulation of soft matter systems–from the atomistic to the coarse-grained level and back
C Peter, K Kremer
Soft Matter 5 (22), 4357-4366, 2009
Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations
C Peter, G Hummer
Biophysical journal 89 (4), 2222-2234, 2005
Multiscale simulation of soft matter systems
C Peter, K Kremer
Faraday discussions 144, 9-24, 2010
The Key to Solving the Protein‐Folding Problem Lies in an Accurate Description of the Denatured State
WF Van Gunsteren, R Bürgi, C Peter, X Daura
Angewandte Chemie International Edition 40 (2), 351-355, 2001
Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites
AJ Rzepiela, M Louhivuori, C Peter, SJ Marrink
Physical Chemistry Chemical Physics 13 (22), 10437-10448, 2011
Estimating entropies from molecular dynamics simulations
C Peter, C Oostenbrink, A van Dorp, WF van Gunsteren
The Journal of chemical physics 120 (6), 2652-2661, 2004
Classical simulations from the atomistic to the mesoscale and back: coarse graining an azobenzene liquid crystal
C Peter, L Delle Site, K Kremer
Soft Matter 4 (4), 859-869, 2008
Calculation of NMR-relaxation parameters for flexible molecules from molecular dynamics simulations
C Peter, X Daura, WF Van Gunsteren
Journal of biomolecular NMR 20 (4), 297-310, 2001
Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation
A Villa, C Peter, NFA van der Vegt
Physical Chemistry Chemical Physics 11 (12), 2077-2086, 2009
Influence of cut-off truncation and artificial periodicity of electrostatic interactions in molecular simulations of solvated ions: A continuum electrostatics study
M Bergdorf, C Peter, PH Hünenberger
The Journal of chemical physics 119 (17), 9129-9144, 2003
Computer simulations of soft matter: Linking the scales
R Potestio, C Peter, K Kremer
Entropy 16 (8), 4199-4245, 2014
Transferability of nonbonded interaction potentials for coarse-grained simulations: Benzene in water
A Villa, C Peter, NFA van der Vegt
Journal of chemical theory and computation 6 (8), 2434-2444, 2010
Peptides of aminoxy acids: A molecular dynamics simulation study of conformational equilibria under various conditions
C Peter, X Daura, WF van Gunsteren
Journal of the American Chemical Society 122 (31), 7461-7466, 2000
Entropy calculation of HIV-1 Env gp120, its receptor CD4, and their complex: an analysis of configurational entropy changes upon complexation
STD Hsu, C Peter, WF van Gunsteren, AMJJ Bonvin
Biophysical journal 88 (1), 15-24, 2005
Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model
A Villa, NFA van der Vegt, C Peter
Physical Chemistry Chemical Physics 11 (12), 2068-2076, 2009
Derivation of coarse grained models for multiscale simulation of liquid crystalline phase transitions
B Mukherjee, L Delle Site, K Kremer, C Peter
The Journal of Physical Chemistry B 116 (29), 8474-8484, 2012
Atomistic force field for azobenzene compounds adapted for QM/MM simulations with applications to liquids and liquid crystals
M Böckmann, C Peter, LD Site, NL Doltsinis, K Kremer, D Marx
Journal of chemical theory and computation 3 (5), 1789-1802, 2007
Transferability of coarse grained potentials: Implicit solvent models for hydrated ions
JW Shen, C Li, NFA van der Vegt, C Peter
Journal of Chemical Theory and Computation 7 (6), 1916-1927, 2011
Unfolded state of peptides
X Daura, A Glättli, P Gee, C Peter, WF Van Gunsteren
Advances in protein chemistry 62, 341-360, 2002
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