COSMO-RS predictions of logP in the SAMPL7 blind challenge

2021 ◽  
Author(s):  
Judith Warnau ◽  
Karin Wichmann ◽  
Jens Reinisch
Keyword(s):  
Blind Challenge

scholarly journals Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations

2019 ◽  
Vol 34 (4) ◽  
pp. 443-451 ◽  
Author(s):  
William J. Zamora ◽  
Silvana Pinheiro ◽  
Kilian German ◽  
Clara Ràfols ◽  
Carles Curutchet ◽  
...  
Keyword(s):  
Partition Coefficients ◽  
Continuum Solvation ◽  
Blind Challenge

scholarly journals Predicting changes in protein stability caused by mutation using sequence‐and structure‐based methods in a CAGI5 blind challenge

2019 ◽  
Vol 40 (9) ◽  
pp. 1414-1423 ◽  
Author(s):  
Alexey Strokach ◽  
Carles Corbi‐Verge ◽  
Philip M. Kim
Keyword(s):  
Protein Stability ◽  
Blind Challenge

scholarly journals Absolute and relative pKa predictions via a DFT approach applied to the SAMPL6 blind challenge

2018 ◽  
Vol 32 (10) ◽  
pp. 1179-1189 ◽  
Author(s):  
Qiao Zeng ◽  
Michael R. Jones ◽  
Bernard R. Brooks
Keyword(s):  
Blind Challenge
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