FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models
Modeling of the chemical properties of proteins is a challenging task in modern computational biochemistry, leading researchers to focus on the properties of small, representative, protein-like structures, such as peptides. In this article, a powerful Python library is presented, to quickly and efficiently generate realistic peptide model structures. FragBuilder is being made freely available by the authors as open source software.
FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models
Modeling of the chemical properties of proteins is a challenging task in modern computational biochemistry, leading researchers to focus on the properties of small, representative, protein-like structures, such as peptides. In this article, a powerful Python library is presented, to quickly and efficiently generate realistic peptide model structures. FragBuilder is being made freely available by the authors as open source software.
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