From 4f2d9bb882b2220f0a5e226bbd8294859b305d11 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Jo=C3=A3o=20Victor=20Guerra?= Date: Thu, 16 Nov 2023 17:53:36 -0300 Subject: [PATCH] Add files via upload --- CITATION.cff | 53 ++++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 53 insertions(+) create mode 100644 CITATION.cff diff --git a/CITATION.cff b/CITATION.cff new file mode 100644 index 0000000..5ebe520 --- /dev/null +++ b/CITATION.cff @@ -0,0 +1,53 @@ +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'