Discriminant and quantitative PLS analysis of competitive CYP2C9 inhibitors versus non-inhibitors using alignment independent GRIND descriptors. - Lovisa Afzelius; Collen M. Masimirembwa; Anders Karlén; Tommy B. Andersson; Ismael Zamora (J. Comput. Aided Mol. Des., 2002)

Ligand Bias of Scoring Functions in Structure-Based Virtual Screening. - Micael Jacobsson; Anders Karlén (J. Chem. Inf. Model., 2006)

Improved CoMFA Modeling by Optimization of Settings. - Shane D. Peterson; Wesley Schaal; Anders Karlén (J. Chem. Inf. Model., 2006)

Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods. - Fredrik Svensson; Anders Karlén; Christian Sköld (J. Chem. Inf. Model., 2012)

Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data. - Martin Lindh; Fredrik Svensson; Wesley Schaal; Jin Zhang; Christian Sköld; Peter Brandt; Anders Karlén (J. Chem. Inf. Model., 2015)

Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide. - Hiba Alogheli; Gustav Olanders; Wesley Schaal; Peter Brandt; Anders Karlén (J. Chem. Inf. Model., 2017)

Conformational analysis of macrocycles: comparing general and specialized methods. - Gustav Olanders; Hiba Alogheli; Peter Brandt; Anders Karlén (J. Comput. Aided Mol. Des., 2020)