Elan Costa | SBQT 2021 | Galoá Proceedings

UNIVERSIDADE DO ESTADO DO RIO DE JANEIRO

Elan Costa

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pyPolyBuilder: An automated software to create molecular topologies and initial configurations of arbitrary supramolecules for molecular dynamics simulations.
Mayk Caldas Ramos ¹
Patrick Quoika ²
Vitor Horta ³
Elan Costa ⁴
Luigi Ribeiro ⁴
Jorge Luis Machado do Amaral ⁴
Bruno Horta ⁵
Klaus Liedl ⁶
¹ Universidade Federal do Rio de Janeiro
² University of Innsbruck / Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI),
³ Dublin City University / Insight Centre for Data Analytics
⁴ UNIVERSIDADE DO ESTADO DO RIO DE JANEIRO
⁵ DEPARTAMENTO DE QUIMICA ORGÂNICA / INSTITUTO DE QUÍMICA / Universidade Federal do Rio de Janeiro
⁶ Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI),
Vol 21, 2021 -
141711

Molecular Dynamics

Apresentação Oral Assíncrona /Asynchronous Oral Communications

Co-authors (7)