Publications
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Author Title Type [ Year] Filters: Keyword is Computer Simulation [Clear All Filters]
Pages
Monte Carlo simulations of protein folding. I. Lattice model and interaction schemeProteins 18, 338-52, 1994.
Prediction of quaternary structure of coiled coils. Application to mutants of the GCN4 leucine zipperJournal of Molecular Biology 251, 448–67, 1995.
Does a backwardly read protein sequence have a unique native state?Protein Engineering 9, 5–14, 1996.
Folding simulations and computer redesign of protein A three-helix bundle motifsProteins 25, 286–299, 1996.
On the origin of the cooperativity of protein folding: implications from model simulationsProteins 26, 271–287, 1996.
MONSSTER: a method for folding globular proteins with a small number of distance restraintsJournal of Molecular Biology 265, 217–241, 1997.
Assembly of protein structure from sparse experimental data: an efficient Monte Carlo modelProteins 32, 475–494, 1998.
De novo simulations of the folding thermodynamics of the GCN4 leucine zipperBiophysical Journal 77, 54–69, 1999.
Structural genomics and its importance for gene function analysisNature Biotechnology 18, 283–287, 2000.
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.
Computer simulations of protein folding with a small number of distance restraintsActa Biochimica Polonica 49, 683–692, 2002.
A minimal physically realistic protein-like lattice model: designing an energy landscape that ensures all-or-none folding to a unique native stateBiophysical Journal 84, 1518–26, 2003.
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.
Generalized protein structure prediction based on combination of fold-recognition with de novo folding and evaluation of modelsProteins 61 Suppl. 7, 84–90, 2005.
A minimal proteinlike lattice model: an alpha-helix motifThe Journal of Chemical Physics 122, 214915, 2005.
A new approach to prediction of short-range conformational propensities in proteinsBioinformatics (Oxford, England) 21, 981–987, 2005.
Protein modeling with reduced representation: statistical potentials and protein folding mechanismActa Biochimica Polonica 52, 741–8, 2005.
Protein structure prediction by tempering spatial constraintsJournal of Computer-Aided Molecular Design 19, 603–8, 2005.
Theoretical model of prion propagation: a misfolded protein induces misfoldingProceedings of the National Academy of Sciences of the United States of America 102, 7835–40, 2005.