Combination of COSMOmic and molecular dynamics simulations for the calculation of membrane-water partition coefficients

2013 ◽  
Vol 34 (15) ◽  
pp. 1332-1340 ◽  
Author(s):  
Sven Jakobtorweihen ◽  
Thomas Ingram ◽  
Irina Smirnova
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Partition Coefficients ◽  
Dynamics Simulations

Prediction of Micelle/Water and Liposome/Water Partition Coefficients Based on Molecular Dynamics Simulations, COSMO-RS, and COSMOmic

Langmuir ◽  
2013 ◽  
Vol 29 (11) ◽  
pp. 3527-3537 ◽  
Author(s):  
Thomas Ingram ◽  
Sandra Storm ◽  
Linda Kloss ◽  
Tanja Mehling ◽  
Sven Jakobtorweihen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Partition Coefficients ◽  
Dynamics Simulations

Solvent-dependent conformation of cyclosporin a: evidence from partition coefficients and molecular dynamics simulations

1993 ◽  
Vol 11 (4) ◽  
pp. 260-261
Author(s):  
NabilEl Tayar ◽  
AlanE. Mark ◽  
Philippe Vallat ◽  
RogerM. Brunne ◽  
Bernard Testa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Cyclosporin A ◽  
Molecular Dynamics Simulations ◽  
Partition Coefficients ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document