Mayk C. Ramos, Patrick K. Quoika, Vitor A. C. Horta, Douglas Mota Dias, Elan G. Costa, Jorge Luís Machado do Amaral, Luigi M. Ribeiro, Klaus R. Liedl, Bruno A. C. Horta. pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules. Journal of Chemical Information and Computer Sciences, 61(4):1539-1544, 2021. [doi]
@article{RamosQHDCARLH21,
title = {pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules},
author = {Mayk C. Ramos and Patrick K. Quoika and Vitor A. C. Horta and Douglas Mota Dias and Elan G. Costa and Jorge Luís Machado do Amaral and Luigi M. Ribeiro and Klaus R. Liedl and Bruno A. C. Horta},
year = {2021},
doi = {10.1021/acs.jcim.0c01438},
url = {https://doi.org/10.1021/acs.jcim.0c01438},
researchr = {https://researchr.org/publication/RamosQHDCARLH21},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {61},
number = {4},
pages = {1539-1544},
}