Estimation of influential points in any data set from coefficient of determination and its leave-one-out cross-validated counterpart Gergely TóthZsolt BodaiKároly Héberger OriginalPaper 20 October 2013 Pages: 837 - 844
Computational analysis of local membrane properties Vytautas GapsysBert L. de GrootRodolfo Briones OriginalPaper Open access 23 October 2013 Pages: 845 - 858
Novel anti-Plasmodial hits identified by virtual screening of the ZINC database Grace MugumbateAna S. NewtonRita C. Guedes OriginalPaper 25 October 2013 Pages: 859 - 871
Structural functionality, catalytic mechanism modeling and molecular allergenicity of phenylcoumaran benzylic ether reductase, an olive pollen (Ole e 12) allergen Jose C. Jimenez-LopezSimeon O. KotchoniJuan D. Alché OriginalPaper 24 October 2013 Pages: 873 - 895
Fragment-based strategy for structural optimization in combination with 3D-QSAR Haoliang YuanWenting TaiTao Lu OriginalPaper 01 November 2013 Pages: 897 - 915