4.4 Article

PrepFlow: A Toolkit for Chemical Library Preparation and Management for Virtual Screening

Related references

Note: Only part of the references are listed.
Article Multidisciplinary Sciences

An open-source drug discovery platform enables ultra-large virtual screens

Christoph Gorgulla et al.

NATURE (2020)

Review Multidisciplinary Sciences

Array programming with NumPy

Charles R. Harris et al.

NATURE (2020)

Article Multidisciplinary Sciences

Ultra-large library docking for discovering new chemotypes

Jiankun Lyu et al.

NATURE (2019)

Article Biochemical Research Methods

EU-OPENSCREEN: A Novel Collaborative Approach to Facilitate Chemical Biology

Philip Brennecke et al.

SLAS DISCOVERY (2019)

Article Biochemistry & Molecular Biology

DrugBank 5.0: a major update to the DrugBank database for 2018

David S. Wishart et al.

NUCLEIC ACIDS RESEARCH (2018)

Article Biochemistry & Molecular Biology

The ChEMBL database in 2017

Anna Gaulton et al.

NUCLEIC ACIDS RESEARCH (2017)

Article Chemistry, Medicinal

VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening

Jose-Manuel Gally et al.

MOLECULAR INFORMATICS (2017)

Article Economics

Innovation in the pharmaceutical industry: New estimates of R&D costs

Joseph A. DiMasi et al.

JOURNAL OF HEALTH ECONOMICS (2016)

Article Chemistry, Medicinal

Docking Screens for Novel Ligands Conferring New Biology

John J. Irwin et al.

JOURNAL OF MEDICINAL CHEMISTRY (2016)