BRUSELAS: HPC Generic and Customizable Software Architecture for 3D Ligand-Based Virtual Screening of Large Molecular Databases

scientific article published on 23 May 2019

BRUSELAS: HPC Generic and Customizable Software Architecture for 3D Ligand-Based Virtual Screening of Large Molecular Databases is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1021/ACS.JCIM.9B00279
P698PubMed publication ID31074975

P50authorHoracio Pérez-SánchezQ56191772
Savins Puertas-MartinQ91341007
Antonio J Banegas-LunaQ91915946
José Pedro Cerón-CarrascoQ47697002
P2860cites workOpen Babel: An open chemical toolboxQ21198766
DrugBank: a comprehensive resource for in silico drug discovery and explorationQ24188653
iDrug: a web-accessible and interactive drug discovery and design platformQ33712915
Recognizing pitfalls in virtual screening: a critical reviewQ34204731
P433issue6
P921main subjectsoftware architectureQ846636
virtual screeningQ4112105
P304page(s)2805-2817
P577publication date2019-05-23
P1433published inJournal of Chemical Information and ModelingQ3007982
P1476titleBRUSELAS: HPC Generic and Customizable Software Architecture for 3D Ligand-Based Virtual Screening of Large Molecular Databases
P478volume59

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cites work (P2860)
Q108127160Artificial intelligence to deep learning: machine intelligence approach for drug discovery
Q100475007Discovery of potent inhibitors for SARS-CoV-2's main protease by ligand-based/structure-based virtual screening, MD simulations, and binding energy calculations
Q94450443Is high performance computing a requirement for novel drug discovery and how will this impact academic efforts?
Q95657428NMR-Based Chemical Profiling, Isolation and Evaluation of the Cytotoxic Potential of the Diterpenoid Siderol from Cultivated Sideritis euboea Heldr
Q90428394Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace

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