Sereina Riniker
Board of the Swiss Federal Institutes of Technology(CH)ETH Zurich(CH)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Machine Learning in Materials Science, Spectroscopy and Quantum Chemical Studies, Chemical Synthesis and Analysis
Most-Cited Works
- → Definition and testing of the GROMOS force-field versions 54A7 and 54B7(2011)2,491 cited
- → Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation(2015)710 cited
- → Open-source platform to benchmark fingerprints for ligand-based virtual screening(2013)384 cited
- → Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview(2018)248 cited
- → Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods(2013)245 cited
- → On developing coarse-grained models for biomolecular simulation: a review(2012)241 cited
- → The impact of molecular dynamics on drug design: applications for the characterization of ligand–macromolecule complexes