A general procedure for transformation of abstract factor solution to real one in presence of linear constraints. An application for chemical component analysis from NMR data. - Reino Laatikainen; Kari Tuppurainen (Comput. Chem., 1990)

Evaluation of a Novel Electronic Eigenvalue (EEVA) Molecular Descriptor for QSAR/QSPR Studies: Validation Using a Benchmark Steroid Data Set. - Kari Tuppurainen; Marja Viisas; Reino Laatikainen; Mikael Peräkylä (J. Chem. Inf. Comput. Sci., 2002)

FLUFF-BALL, A Template-Based Grid-Independent Superposition and QSAR Technique: Validation Using a Benchmark Steroid Data Set. - Samuli-Petrus Korhonen; Kari Tuppurainen; Reino Laatikainen; Mikael Peräkylä (J. Chem. Inf. Comput. Sci., 2003)

Ligand intramolecular motions in ligand-protein interaction: ALPHA, a novel dynamic descriptor and a QSAR study with extended steroid benchmark dataset. - Kari Tuppurainen; Marja Viisas; Mikael Peräkylä; Reino Laatikainen (J. Comput. Aided Mol. Des., 2004)

Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large Diverse Estrogen Data Set: From Relevant Superpositions to Solid Predictions. - Samuli-Petrus Korhonen; Kari Tuppurainen; Reino Laatikainen; Mikael Peräkylä (J. Chem. Inf. Model., 2005)

Molecular Dynamics Simulations for Human CAR Inverse Agonists. - Johanna Jyrkkärinne; Jenni Küblbeck; Juha Pulkkinen; Paavo Honkakoski; Reino Laatikainen; Antti Poso; Tuomo Laitinen (J. Chem. Inf. Model., 2012)

Comprehensive Strategy for Proton Chemical Shift Prediction: Linear Prediction with Nonlinear Corrections. - Reino Laatikainen; Tommi Hassinen; Juuso Lehtivarjo; Mika Tiainen; Juha Jungman; Tuulia Tynkkynen; Samuli-Petrus Korhonen; Matthias Niemitz; Pekka Poutiainen; Olli Jääskeläinen; Topi Väisänen; Janne Weisell; et al. (J. Chem. Inf. Model., 2014)