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eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations.

, , , , , , , and . J. Cheminformatics, 9 (1): 58:1-58:13 (2017)

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3D-DART: a DNA structure modelling server., and . Nucleic Acids Res., 37 (Web-Server-Issue): 235-239 (2009)OFraMP: a fragment-based tool to facilitate the parametrization of large molecules., , , , , , , , , and 7 other author(s). J. Comput. Aided Mol. Des., 37 (8): 357-371 (August 2023)eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations., , , , , , , and . J. Cheminformatics, 9 (1): 58:1-58:13 (2017)The Delft-FEWS flow forecasting system., , , , , and . Environ. Model. Softw., (2013)Binding free energy predictions of farnesoid X receptor (FXR) agonists using a linear interaction energy (LIE) approach with reliability estimation: application to the D3R Grand Challenge 2., , , and . J. Comput. Aided Mol. Des., 32 (1): 239-249 (2018)Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors., , , , , and . J. Chem. Inf. Model., 57 (9): 2294-2308 (September 2017)A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1-Ligand Binding Free Energy Calculation., , , , and . J. Chem. Inf. Model., 59 (9): 4018-4033 (2019)