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Probabilistic model to treat flexibility in molecular contacts |
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| Authors: | Riku Hakulinen Santeri Puranen |
| Institution: | 1. Structural Bioinformatics Laboratory/Biochemistry, Faculty of Science and Engineering, ?bo Akademi University, Turku, Finlandriku.hakulinen@abo.fi;3. Department of Computer Science, Aalto University, Espoo, Finland;4. Department of Computer Science, University of Helsinki, Helsinki, Finland;5. Helsinki Institute for Information Technology HIIT, Helsinki, Finland |
| Abstract: | |
| Keywords: | Molecular interactions probabilistic modelling negative probability internal torque strain enthalpy–entropy compensation |