Volume 30, Issue 2

February 2016

Including an Article of the Special Series: Statistics in Molecular Modeling

Issue Editor:

5 articles in this issue

Confidence limits, error bars and method comparison in molecular modeling. Part 2: comparing methods
A. Nicholls
SPECIAL SERIES: STATISTICS IN MOLECULAR MODELING Open access 04 March 2016 Pages: 103 - 126
Extrapolative prediction using physically-based QSAR
Ann E. Cleves
Ajay N. Jain
OriginalPaper Open access 10 February 2016 Pages: 127 - 152
A β-solenoid model of the Pmel17 repeat domain: insights to the formation of functional amyloid fibrils
Nikolaos N. Louros
Fotis A. Baltoumas
Vassiliki A. Iconomidou
OriginalPaper 11 January 2016 Pages: 153 - 164
Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids
Anna Rybinska
Anita Sosnowska
Tomasz Puzyn
OriginalPaper 01 February 2016 Pages: 165 - 176
Improving quantitative structure–activity relationship models using Artificial Neural Networks trained with dropout
Jeffrey Mendenhall
Jens Meiler
OriginalPaper 01 February 2016 Pages: 177 - 189

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