Author Info
Name
Affiliation
Papers
NICO P. E. VERMEULEN
Vrije Univ Amsterdam, Leiden Amsterdam Ctr Drug Res, Div Mol & Computat Toxicol, Dept Chem & Pharmaceut Sci, NL-1081 HV Amsterdam, Netherlands
9
Collaborators
Citations 
PageRank 
34
20
4.32
Referers 
Referees 
References 
76
125
36
Search Limit
100125
Title
Citations
PageRank
Year
A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1-Ligand Binding Free Energy Calculation.00.342019
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 2.10.362018
eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations.00.342017
Free Energy Calculations Give Insight into the Stereoselective Hydroxylation of α-Ionones by Engineered Cytochrome P450 BM3 Mutants.40.482012
Molecular Dynamics Simulations And Free Energy Calculations On The Enzyme 4-Hydroxyphenylpyruvate Dioxygenase20.412011
Virtual screening and prediction of site of metabolism for cytochrome P450 1A2 ligands.40.632009
Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the linear interaction energy (LIE) method.50.522006
Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s.30.861998
A preliminary 3D model for cytochrome P450 2D6 constructed by homology model building.10.401993