W. Andrzej Sokalski

Publication Activity (10 Years)

Years Active: 1980-2017
Publications (10 Years): 1

Top Topics

Prediction Error

Prediction Algorithm

Top Venues

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

Wiktoria Jedwabny, Joanna Panecka-Hofman, Edyta Dyguda-Kazimierowicz, Rebecca C. Wade, W. Andrzej Sokalski
Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition. J. Comput. Aided Mol. Des. 31 (8) (2017)
Wiktor Beker, Karol M. Langner, Edyta Dyguda-Kazimierowicz, Mikolaj Feliks, W. Andrzej Sokalski
Low cost prediction of relative stabilities of hydrogen bonded complexes from atomic multipole moments for overly short intermolecular distances. J. Comput. Chem. 34 (21) (2013)
Pawel Kdzierski, W. Andrzej Sokalski
Analysis of the transferability of atomic multipoles for amino acids in modeling macromolecular charge distribution from fragments. J. Comput. Chem. 22 (10) (2001)
W. Andrzej Sokalski, Morris Krauss
Preface. Comput. Chem. 24 (3-4) (2000)
J. Grembecka, W. Andrzej Sokalski, P. Kafarski
Computer-aided design and activity prediction of leucine aminopeptidase inhibitors. J. Comput. Aided Mol. Des. 14 (6) (2000)
Pawel Kdzierski, W. Andrzej Sokalski, Morris Krauss
Nonempirical analysis of nature of catalytic effects in ribonuclease A active site. J. Comput. Chem. 21 (6) (2000)
Henryk Chojnacki, Jan W. Andzelm, T. Nguyen Dzung, W. Andrzej Sokalski
Preliminary Density Functional Calculations on the Formic Acid Dimer. Comput. Chem. 19 (3) (1995)
W. Andrzej Sokalski, D. A. Keller, Rick L. Ornstein, R. Rein
Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides. J. Comput. Chem. 14 (8) (1993)
W. Andrzej Sokalski
Evaluation of molecular Cartesian coordinates by a programmable calculator. Comput. Chem. 4 (3-4) (1980)