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Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design
Taylor & Francis Verlag | 2010| -
RANdom SAmple Consensus (RANSAC) algorithm for material-informatics: application to photovoltaic solar cells
Free accessSpringer Verlag | 2017| -
Toward Focusing Conformational Ensembles on Bioactive Conformations: A Molecular Mechanics/Quantum Mechanics Study
American Chemical Society | 2015| -
Bioactive Conformational Biasing: A New Method for Focusing Conformational Ensembles on Bioactive-Like Conformers
American Chemical Society | 2009| -
A reliable computational workflow for the selection of optimal screening libraries
Free accessSpringer Verlag | 2015| -
Visualization of Solar Cell Library Space by Dimensionality Reduction Methods
American Chemical Society | 2018| -
Application of Materials Informatics Tools to the Analysis of Combinatorial Libraries of All Metal-Oxides Photovoltaic Cells
Free accessSpringer Verlag | 2019|
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