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ZENODO
Software . 2024
License: CC BY
Data sources: ZENODO
ZENODO
Software . 2024
License: CC BY
Data sources: Datacite
ZENODO
Software . 2024
License: CC BY
Data sources: Datacite
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VFLP - VirtualFlow for Ligand Preparation

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 12 Jul 2024Publisher:Cluster of Excellence MATH+
Authors: Secker, Christopher; Koop, Matt; Gorgulla, Christoph;

doi: 10.5281/zenodo.12730949 , 10.5281/zenodo.12730950

VFLP - VirtualFlow for Ligand Preparation

Abstract

VirtualFlow is a versatile, parallel workflow platform for carrying out virtual screening related tasks on Linux-based computer clusters of any type and size which are managed by a batchsystem (such as SLURM). Currently, there exist two versions of VirtualFlow, which are tailored to different types of tasks: VFLP: VirtualFlow for Ligand Preparation VFVS : VirtualFlow for Virtual Screenings They use the same core technology regarding the workflow management and parallelization, and they can be used individually or in concert with each other. Additional versions are expected to arrive in the future. Pre-built ready-to-dock ligand libraries for VFVS are available for free (in the download section).

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    popularity
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average