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prof. dr hab. Cezary Czaplewski
Employment
- 2017 - 2021 assistant professor (part-time) at Faculty of Applied Physics and Mathematics
Publications
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total: 138
Catalog Publications
Year 2004
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Optimization of the UNRES Force Field by Hierarchical Design of the Potential-Energy Landscape. 3. Use of Many Proteins in Optimization
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Parametrization of Backbone−Electrostatic and Multibody Contributions to the UNRES Force Field for Protein-Structure Prediction from Ab Initio Energy Surfaces of Model Systems
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Prediction of the structures of proteins with the UNRES force field, including dynamic formation and breaking of disulfide bonds
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The protein folding problem: global optimization of force fields
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Towards gelsolin amyloid formation
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Use of NMR and Fluorescence Spectroscopy as well as Theoretical Conformational Analysis in Conformation-activity Studies of Cyclic Enkephalin Analogues
Publication
Year 2003
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Global Optimization-Based Method for Deriving Intermolecular Potential Parameters for Crystals
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Molecular dynamics study of a gelsolin-derived peptide binding to a lipid bilayer containing phosphatidylinositol 4,5-bisphosphate
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Molecular dynamics study of the influence of calcium ions on the conformation of gelsolin S2 domain
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Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles
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Molecular Simulation Study of the Potentials of Mean Force for the Interactions between Models of Like-Charged and between Charged and Nonpolar Amino Acid Side Chains in Water
Publication
Year 2002
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A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: Application to the UNRES force field
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Can cooperativity in hydrophobic association be reproduced correctly by implicit solvation models?
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Comment on “Anti-cooperativity in hydrophobic interactions: A simulation study of spatial dependence of three-body effects and beyond” [J. Chem. Phys. 115, 1414 (2001)]
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Conformational studies of cyclic enkephalin analogues withL- orD-proline in position 3
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Evolution of physics-based methodology for exploring the conformational energy landscape of proteins
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Lipid-protein interactions in membranes: a molecular modelling study
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Reaction of 4-benzylidene-2-methyl-5-oxazolone with amines, Part 2: Influence of substituents in para-position in the phenyl ring and a substituent on amine nitrogen atom on the reaction kinetics
Publication
Year 2001
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Conformation-family Monte Carlo: A new method for crystal structure prediction
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Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field
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Development of Physics-Based Energy Functions that Predict Medium-Resolution Structures for Proteins of the α, β, and α/β Structural Classes
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Optimization of Parameters in Macromolecular Potential Energy Functions by Conformational Space Annealing
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Recent improvements in prediction of protein structure by global optimization of a potential energy function
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Synthesis, activity on NK-3 tachykinin receptor and conformational solution studies of scyliorhinin II analogs modified at position 16
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The investigation of the effects of counterions in protein dynamics simulations
Publication
Year 2000
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Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions
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Efficient parallel algorithms in global optimization of potential energy functions for peptides, proteins, and crystals
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Molecular simulation study of cooperativity in hydrophobic association
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Reply to “Comment on ‘Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions'” by B. P. van Eijck and J. Kroon
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Solution conformational study of Scyliorhinin I analogues with conformational constraints by two-dimensional NMR and theoretical conformational analysis
Publication
Year 1999
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Binding modes of a new epoxysuccinyl–peptide inhibitor of cysteine proteases. Where and how do cysteine proteases express their selectivity?
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Molecular Dynamics of a Vasopressin V2 Receptor in a Phospholipid Bilayer Membrane
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Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods
Publication
Year 1998
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Computer modeling of the solution conformation of cyclic enkephalins
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Vasopressin V2 receptor/bioligand interactions
Publication
Year 1997
Year 1996
Year 1995
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