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Showing 1 to 4 of 4 for “"Protein Force Field"”.
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Scope: A Protein Force Field With An Artificial Neural Network Approach to Protein Refinement
<p>Protein folding is the one of the most important topics of research in Biochemistry. The understanding of how a protein folds into its three dimensional shape from its amino acid sequence is of extreme importance in medicine today because proteins play important roles in diseases such as sickle …
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Maximum Entropy Optimization: a General Approach to Study Ordered and Disordered Proteins Reveals Key Features of Protein Phase Separation
… of both ordered and disordered domains in these proteins places a high demand on the model accuracy. In this thesis, we develop systematic methods to parameterize force fields from experimental data, and apply them to study the phase separation properties of chromatin regulator proteins. In …
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Development of polarizable force fields for proteins
… describes the development of the polarizable force field for proteins based on classical mechanics, electronic structure theory and the combined quantum mechanical molecular mechanical method. In the first model, the classical force field is augmented with the explicit polarization energy term …
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Quantum Mechanically Derived Biomolecular Force Fields
Molecular mechanics force fields are used to understand and predict a wide range of biological phenomena. However, current biomolecular force fields assume that parameters must be fit to the properties of small molecules and subsequently transferred to model large proteins. Here, we look to …