March 2014

Table of Contents - PeerJ (General Articles)

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FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models
March 4, 2014

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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March 11, 2014
Happy software developers solve problems better: psychological measurements in empirical software engineering
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https://doi.org/10.7717/peerj.289 PubMed 24688866
March 27, 2014
Severity of chronic Lyme disease compared to other chronic conditions: a quality of life survey
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https://doi.org/10.7717/peerj.322 PubMed 24749006
March 4, 2014
Morphological traits: predictable responses to macrohabitats across a 300 km scale
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https://doi.org/10.7717/peerj.271 PubMed 24688850
March 4, 2014
Lack of quantitative training among early-career ecologists: a survey of the problem and potential solutions
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https://doi.org/10.7717/peerj.285 PubMed 24688862
March 6, 2014
‘Mystery big cats’ in the Peruvian Amazon: morphometrics solve a cryptozoological mystery
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https://doi.org/10.7717/peerj.291 PubMed 24688867
FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models
March 4, 2014

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.

- read article

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