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Disambiguation of "Vermeulen, Nico P. E."

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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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Christoph P E Zollikofer

Heinrich Vermeulen

Detlef Vermeulen

Mathieu Vermeulen

Rudolf Vermeulen

 

Other publications of authors with the same name

Free Energy Calculations Give Insight into the Stereoselective Hydroxylation of α-Ionones by Engineered Cytochrome P450 BM3 Mutants., , , , and . Journal of Chemical Information and Modeling, 52 (8): 2139-2148 (2012)Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method., , , , , and . Journal of Chemical Information and Modeling, 46 (5): 1972-1983 (2006)Molecular dynamics simulations and free energy calculations on the enzyme 4-hydroxyphenylpyruvate dioxygenase., , , , and . J. Comput. Chem., 32 (10): 2160-2169 (2011)Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands., , , , , , and . J. Chem. Inf. Model., 49 (1): 43-52 (2009)eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations., , , , , , , and . J. Cheminformatics, 9 (1): 58:1-58:13 (2017)A preliminary 3D model for cytochrome P450 2D6 constructed by homology model building., , , and . J. Comput. Aided Mol. Des., 7 (3): 281-289 (1993)Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s., , , , , and . J. Comput. Aided Mol. Des., 12 (2): 183-193 (1998)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)