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CITATION.cff
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cff-version: 0.1.2
title: SERD
message: >-
If you use SERD in your research, please cite it as below.
type: software
authors:
- given-names: João Victor
family-names: Guerra
email: joao.guerra@lnbio.cnpem.br
affiliation: >-
Brazilian Center for Research in Energy and Materials
(CNPEM)
orcid: 'https://orcid.org/0000-0002-6800-4425'
- affiliation: >-
Brazilian Center for Research in Energy and Materials
(CNPEM)
given-names: Gabriel Ernesto
family-names: Jara
email: gabriel.jara@lnbio.cnpem.br
- given-names: José Geraldo de Carvalho
family-names: Pereira
email: jose.pereira@lnbio.cnpem.br
affiliation: >-
Brazilian Center for Research in Energy and Materials
(CNPEM)
- given-names: Paulo Sergio
family-names: Lopes-de-Oliveira
email: paulo.oliveira@lnbio.cnpem.br
affiliation: >-
Brazilian Center for Research in Energy and Materials
(CNPEM)
repository-code: 'https://github.com/LBC-LNBio/SERD'
url: 'https://lbc-lnbio.github.io/SERD/'
abstract: >-
SERD is a Python package designed to identify
solvent-exposed residues within a target biomolecule,
making them accessible to potential ligands. Furthermore,
SERD has the capability to depict biomolecular
structures as graphs, encompassing various entities,
including binding sites (e.g., cavities identified by
the KVFinder suite) and biomolecular complexes (e.g.,
IPPs, IPLs, IPRs, and IPDs), taking into account their
intramolecular interactions.
keywords:
- structural-biology
- solvent-accessibility
- python-package
- graph-theory
- graph-representations
license: GNU General Public License v3.0
commit: e9ef6e1
version: v0.1.2
date-released: '2022-10-19'