The role of computational biology in the genomics revolutionImpact of Advances in Computing and Communications Technologies on Chemical Sciences and Technology, Proceedings of the National Research Council pp, 44–61, 1999.
Combining MONSSTER and LES/PME to Predict Protein Structure from Amino Acid Sequence: Application to the Small Protein CMTI-1Journal of the American Chemical Society 122, 8392–8402, 2000.
Comparison of three Monte Carlo conformational search strategies for a proteinlike homopolymer model: Folding thermodynamics and identification of low-energyJournal of Chemical Physics 113, 5065–5071, 2000.
Derivation of protein-specific pair potentials based on weak sequence fragment similarityProteins: Structure, Function, Bioinformatics 38, 3–16, 2000.
Helix-coil and beta sheet-coil transitions in a simplified, yet realistic protein modelMacromolecular Theory and Simulations 9, 523–533, 2000.
Monte Carlo simulation of designed helical proteinsActa Poloniae Pharmaceutica – Drug Research 57 Suppl, 119-21, 2000.
Nitrogen NMR shieldings of thiourea systems as a function of solvent polarity and hydrogen bond effectsJournal of Molecular Structure 516, 107 - 112, 2000.
Protein Folding: Flexible Lattice ModelsProgress of Theoretical Physics Supplement 138, 292–300, 2000.
Structural genomics and its importance for gene function analysisNature Biotechnology 18, 283–287, 2000.
Study of hydrogen bonding and solvent polarity effects on the nitrogen NMR shieldings of N,N‐dimethylacetamidineMagnetic Resonance in Chemistry 38, 177-182, 2000.
Computational studies of protein foldingComputing in Science & Engineering September/October, 22–31, 2001.
A new combination of replica exchange Monte Carlo and histogram analysis for protein folding and thermodynamicsThe Journal of Chemical Physics 115, 1569–1574, 2001.
Structure of proteins: New approach to molecular modelingPolish Journal of Chemistry 75, 587–599, 2001.
TOUCHSTONE: an ab initio protein structure prediction method that uses threading-based tertiary restraintsProceedings of the National Academy of Sciences of the United States of America 98, 10125–30, 2001.
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.
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.
Computer simulations of protein folding with a small number of distance restraintsActa Biochimica Polonica 49, 683–692, 2002.