Publications
Pages
13,13-Dimethyl-des-C,D analogues of (20S)-1α,25-dihydroxy-2-methylene-19-norvitamin D₃ (2MD): total synthesis, docking to the VDR, and biological evaluationBioorganic & Medicinal Chemistry 19, 7205-20, 2011.
13C Chemical shifts of some azaindolizines versus electron charge distributionJournal of Molecular Structure 64, 15 - 27, 1980.
14N NMR nuclear shielding and the electronic structure of dibenzo[1,3a,4,6a]tetrazapentaleneMagnetic Resonance in Chemistry 27, 88–91, 1989.
A 15N NMR study of some sulphilimines and sulphone iminesBulletin of the Polish Academy of Sciences 32, 201-205, 1984.
2-Ethyl and 2-ethylidene analogues of 1alpha,25-dihydroxy-19-norvitamin D(3): synthesis, conformational analysis, biological activities, and docking to the modeled rVDR ligand binding domain.Journal of Medicinal Chemistry 45, 3366-80, 2002.
2-Methylene analogs of 1alpha-hydroxy-19-norvitamin D3: synthesis, biological activities and docking to the ligand binding domain of the rat vitamin D receptorThe Journal of Steroid Biochemistry and Molecular Biology 89-90, 13-7, 2004.
5-HT2 receptor affinity, docking studies and pharmacological evaluation of a series of 1,3-disubstituted thiourea derivativesEuropean Journal of Medicinal Chemistry 116, 173–186, 2016.
Ab initio folding of proteins using restraints derived from evolutionary informationProteins Suppl. 3, 177–185, 1999.
Ab initio modelingStructural Genomics and High Throughput Structural Biology 137-162, 2006.
Ab initio protein structure prediction on a genomic scale: application to the Mycoplasma genitalium genomeProceedings of the National Academy of Sciences of the United States of America 99, 5993–5998, 2002.
Aggrescan3D (A3D) 2.0: prediction and engineering of protein solubilityNucleic Acids Research 47, W300-W307, 2019.
AGGRESCAN3D (A3D): server for prediction of aggregation properties of protein structuresNucleic Acids Research 43 (W1), W306-W313, 2015.
Aggrescan3D standalone package for structure-based prediction of protein aggregation propertiesBioinformatics btz143, , 2019.
An algorithm for prediction of structural elements in small proteinsProceeding of I-st Pacific Symposium on Biocomputing 446–460, 1996.
Algorithm for rapid reconstruction of protein backbone from alpha carbon coordinatesJournal of Computational Chemistry 18, 80–85, 1997.
Analysis and optimization of interactions between peptides mimicking the GD2 ganglioside and the monoclonal antibody 14G2aInternational Journal of Molecular Medicine 28, 47–57, 2011.
Application of a high coordination lattice model in protein structure predictionProceedings of HRLC Workshop pp, 100–130, 1998.
Application of reduced models to protein structure predictionTheoretical and Computational Chemistry: Computational Molecular Biology 8, 397–440, 1999.
Are proteins ideal mixtures of amino acids? Analysis of energy parameter setsProtein Science: a Publication of the Protein Society 4, 2107–2117, 1995.
Assembly of protein structure from sparse experimental data: an efficient Monte Carlo modelProteins 32, 475–494, 1998.
Assessing energy functions for flexible dockingJournal of Computational Chemistry 19, 1612–1622, 1999.