Solvent polarity and hydrogen-bonding effects on the nitrogen NMR shieldings of N-nitrosamines and DFT calculations of the shieldings of C-, N-, and O-nitroso systemsJournal of Magnetic Resonance 164, 212-9, 2003.
TOUCHSTONE II: a new approach to ab initio protein structure predictionBiophysical Journal 85, 1145–64, 2003.
Unfolding of globular proteins: monte carlo dynamics of a realistic reduced modelBiophysical Journal 85, 3271–3278, 2003.
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.
Numerical study of the entropy loss of dimerization and the folding thermodynamics of the GCN4 leucine zipperBiophysical Journal 83, 2801–2811, 2002.
The protein folding problem: a biophysical enigmaCurrent Pharmaceutical Biotechnology 3, 329–347, 2002.
A study of solvent polarity and hydrogen bonding effects on the nitrogen NMR shieldings of N-nitramines and ab initio calculations of the nitrogen shieldings of C-nitro, N-nitro and O-nitro systemsJournal of Molecular Structure 602–603, 199 - 207, 2002.
A unified approach to the prediction of protein structure and functionAdvances in Chemical Physics 120, 131–192, 2002.
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.
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.