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| Protein Folding |
| Systematic analysis of conformational and sequence space, ground-state identification, and thermodynamics of hydrophobic-polar lattice heteropolymer models (HP model based) |
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| Development of efficient algorithms: parallel enumeration, multicanonical and contact-density chain-growth methods |
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| Conformational lowest-energy shapes, free-energy landscapes, and characterisation of folding channels of coarse-grained off-lattice heteropolymer models (AB model based) |
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| All-atom studies of folding behaviors for synthetic semiconductor-binding peptides (SMMP package with ECEPP/3 and PROFASI package with Lund group force field) |
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| The BONSAI Project: Development of a C++-based molecular mechanics package for protein folding, aggregation, and adsorption |
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| Polymer and Peptide Adsorption to Solid Substrates |
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| Conformational pseudo-phase diagrams of finite-length lattice polymers |
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| Substrate-specificity and conformational transitions of lattice peptides adsorbing to substrates |
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| Aggregation of Peptides |
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| General, ensemble-dependent statistical off-lattice analyses of homopolymer and heteropolymer aggregation transitions |
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| Fluctuating Membranes |
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| Analytic strong-coupling studies of fluctuating membranes and stacks of membranes in confined geometries |
Collaborations: |
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Computational Physics Group (Universität Leipzig) Computational Biology & Biological Physics Group (Lunds Universitet) Department of Physics Engineering (Hacettepe Üniversitesi Ankara) Polymer Theory Group (Max Planck Institute for Polymer Research Mainz) Semiconductor Physics Group (Universität Leipzig) Biochemistry and Bioorganic Chemistry Group (Universität Leipzig) Multiscale Modelling Group (Forschungszentrum Jülich) Computational Physics Group (Carnegie Mellon University Pittsburgh) Computational Physics Group (Technion Haifa) |
| Contact: |
| E-mail: | bachmann[at]smsyslab.org |