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Rainer Thomas Ullmann
Rainer Thomas Ullmann
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Bestätigte E-Mail-Adresse bei rtullmann.de - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Charge-neutral constant pH molecular dynamics simulations using a parsimonious proton buffer
S Donnini, RT Ullmann, G Groenhof, H Grubmüller
Journal of chemical theory and computation 12 (3), 1040-1051, 2016
482016
GMCT: A Monte Carlo simulation package for macromolecular receptors
RT Ullmann, GM Ullmann
Journal of computational chemistry 33 (8), 887-900, 2012
452012
Thermodynamics of transport through the ammonium transporter Amt-1 investigated with free energy calculations
RT Ullmann, SLA Andrade, GM Ullmann
The Journal of Physical Chemistry B 116 (32), 9690-9703, 2012
332012
Simulation of the electron transfer between the tetraheme subunit and the special pair of the photosynthetic reaction center using a microstate description
T Becker, RT Ullmann, GM Ullmann
The Journal of Physical Chemistry B 111 (11), 2957-2968, 2007
242007
Coupling of protonation, reduction, and conformational change in azurin from Pseudomonas aeruginosa investigated with free energy measures of cooperativity
RT Ullmann, GM Ullmann
The Journal of Physical Chemistry B 115 (34), 10346-10359, 2011
182011
A generalized free energy perturbation theory accounting for end states with differing configuration space volume
RT Ullmann, GM Ullmann
The Journal of Physical Chemistry B 115 (3), 507-521, 2011
82011
Monte Carlo Simulation Methods for Studying the Thermodynamics of Ligand Binding & Transfer Processes in Biomolecules
RT Ullmann
2012
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