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)

Development and implementation of (Q)SAR modeling within the CHARMMing web-user interface. - Iwona E. Weidlich; Yuri Pevzner; Benjamin T. Miller; Igor V. Filippov; H. Lee Woodcock III; Bernard R. Brooks (J. Comput. Chem., 2015)

Using the gini coefficient to measure the chemical diversity of small-molecule libraries. - Iwona E. Weidlich; Igor V. Filippov (J. Comput. Chem., 2016)