Tautomerism in large databases. - Markus Sitzmann; Wolf-Dietrich Ihlenfeldt; Marc C. Nicklaus (J. Comput. Aided Mol. Des., 2010)

PDB Ligand Conformational Energies Calculated Quantum-Mechanically. - Markus Sitzmann; Iwona E. Weidlich; Igor V. Filippov; Chenzhong Liao; Megan L. Peach; Wolf-Dietrich Ihlenfeldt; Rajeshri G. Karki; Yulia V. Borodina; Raul E. Cachau; Marc C. Nicklaus (J. Chem. Inf. Model., 2012)

Enumeration of Ring-Chain Tautomers Based on SMIRKS Rules. - Laura Guasch; Markus Sitzmann; Marc C. Nicklaus (J. Chem. Inf. Model., 2014)

QSAR Modeling of Imbalanced High-Throughput Screening Data in PubChem. - Alexey V. Zakharov; Megan L. Peach; Markus Sitzmann; Marc C. Nicklaus (J. Chem. Inf. Model., 2014)

A New Approach to Radial Basis Function Approximation and Its Application to QSAR. - Alexey V. Zakharov; Megan L. Peach; Markus Sitzmann; Marc C. Nicklaus (J. Chem. Inf. Model., 2014)