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Literature DB >> 20383726

Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields.

Abstract

Open3DQSAR is a freely available open-source program aimed at chemometric analysis of molecular interaction fields. MIFs can be imported from different sources (GRID, CoMFA/CoMSIA, quantum-mechanical electrostatic potential or electron density grids) or generated by Open3DQSAR itself. Much focus has been put on automation through the implementation of a scriptable interface, as well as on high computational performance achieved by algorithm parallelization. Flexibility and interoperability with existing molecular modeling software make Open3DQSAR a powerful tool in pharmacophore assessment and ligand-based drug design.

Mesh：

Year: 2010 PMID： 20383726 DOI： 10.1007/s00894-010-0684-x

Source DB: PubMed Journal: J Mol Model ISSN： 0948-5023 Impact factor: 1.810

9 in total

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9 in total

29 in total

1. Insights into the interaction and binding mode of a set of antifungal azoles as inhibitors of potential fungal enzyme-based targets.

Authors: Camilo Guerrero-Perilla; Freddy A Bernal; Ericsson Coy-Barrera
Journal: Mol Divers Date: 2018-06-29 Impact factor: 2.943

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Authors: Somayeh Pirhadi; Jocelyn Sunseri; David Ryan Koes
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Authors: Paolo Tosco; Thomas Balle; Fereshteh Shiri
Journal: J Comput Aided Mol Des Date: 2011-07-27 Impact factor: 3.686

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Authors: Giovanni Marzaro; Alessandro Ferrarese; Adriana Chilin
Journal: Mol Divers Date: 2014-05-29 Impact factor: 2.943

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Authors: Vishwesh Venkatraman; Bjørn Kåre Alsberg
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Authors: Rino Ragno
Journal: J Comput Aided Mol Des Date: 2019-10-08 Impact factor: 3.686