selected publications
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academic article
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Biophysical experiments and biomolecular simulations: A perfect match?.
Science.
361.
2018
Conformational ensembles of RNA oligonucleotides from integrating NMR and molecular simulations.
Science Advances.
4.
2018
Effects and limitations of a nucleobase-driven backmapping procedure for nucleic acids using steered molecular dynamics.
Biochemical and Biophysical Research Communications.
498.
2018
RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview..
Chemical Reviews.
118.
2018
Mapping the Universe of RNA Tetraloop Folds.
Biophysical Journal.
113.
2017
Formulation of probabilistic models of protein structure in atomic detail using the reference ratio method.
Proteins Structure Function and Bioinformatics.
82.
2014
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PHAISTOS: A framework for Markov chain Monte Carlo simulation and inference of protein structure.
Journal of Computational Chemistry.
2013
Variational Optimization of an All-Atom Implicit Solvent Force Field to Match Explicit Solvent Simulation Data..
Journal of Chemical Theory and Computation.
2013
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preprint