Evaluation of molecular Cartesian coordinates by a programmable calculator. - W. Andrzej Sokalski (Comput. Chem., 1980)

Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides. - W. Andrzej Sokalski; D. A. Keller; Rick L. Ornstein; R. Rein (J. Comput. Chem., 1993)

Preliminary Density Functional Calculations on the Formic Acid Dimer. - Henryk Chojnacki; Jan W. Andzelm; T. Nguyen Dzung; W. Andrzej Sokalski (Comput. Chem., 1995)

Preface. - W. Andrzej Sokalski; Morris Krauss (Comput. Chem., 2000)

Computer-aided design and activity prediction of leucine aminopeptidase inhibitors. - J. Grembecka; W. Andrzej Sokalski; P. Kafarski (J. Comput. Aided Mol. Des., 2000)

Nonempirical analysis of nature of catalytic effects in ribonuclease A active site. - Pawel Kdzierski; W. Andrzej Sokalski; Morris Krauss (J. Comput. Chem., 2000)

Analysis of the transferability of atomic multipoles for amino acids in modeling macromolecular charge distribution from fragments. - Pawel Kdzierski; W. Andrzej Sokalski (J. Comput. Chem., 2001)

Low cost prediction of relative stabilities of hydrogen bonded complexes from atomic multipole moments for overly short intermolecular distances. - Wiktor Beker; Karol M. Langner; Edyta Dyguda-Kazimierowicz; Mikolaj Feliks; W. Andrzej Sokalski (J. Comput. Chem., 2013)

Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition. - Wiktoria Jedwabny; Joanna Panecka-Hofman; Edyta Dyguda-Kazimierowicz; Rebecca C. Wade; W. Andrzej Sokalski (J. Comput. Aided Mol. Des., 2017)