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Publications by Herman van Vlijmen

Large Scale Relative Protein Ligand Binding Affinities Using Non-Equilibrium Alchemy

Chemical Science

English

QQ-SNV: Single Nucleotide Variant Detection at Low Frequency by Comparing the Quality Quantiles

BMC Bioinformatics

Applied Mathematics

Computer Science Applications

Structural Biology

Molecular Biology

English

Related publications

Blind Predictions of RNA/Protein Relative Binding Affinities

Biophysical Journal

English

Nanoscale Ion Emitters in Native Mass Spectrometry for Measuring Ligand–Protein Binding Affinities

ACS Central Science

Chemical Engineering

English

An Efficient Computational Method for Calculating Ligand Binding Affinities

Multidisciplinary

English

Ligand-Induced Conformational Changes: Improved Predictions of Ligand Binding Conformations and Affinities

Biophysical Journal

English

Large Scale Free Energy Calculations for Blind Predictions of Protein–ligand Binding: The D3R Grand Challenge 2015

Journal of Computer-Aided Molecular Design

Theoretical Chemistry

Computer Science Applications

English

Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities. 1. Exploring the Parameter Space

English

Large-Scale Molecular Dynamics Simulation: Effect of Polarization on Thrombin-Ligand Binding Energy

Scientific Reports

Multidisciplinary

English

Solvated Interaction Energy (SIE) for Scoring Protein–Ligand Binding Affinities. 2. Benchmark in the CSAR-2010 Scoring Exercise

Journal of Chemical Information and Modeling

Computer Science Applications

Chemical Engineering

Information Sciences

English

Direct Measurements of VEGF:VEGFR2 Binding Affinities Reveal the Coupling Between Ligand Binding and Receptor Dimerization

Journal of Biological Chemistry

Molecular Biology

English