Research Associate
Publications
Metainference: A Bayesian inference method for heterogeneous systems.
Science Advances
(2016)
2
e1501177
(doi: 10.1126/sciadv.1501177)
The molecular architecture of the Dam1 kinetochore complex is defined by cross-linking based structural modelling
Nature Communications
(2015)
6
8673
(doi: 10.1038/ncomms9673)
Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics
J Chem Theory Comput
(2015)
11
5062
(doi: 10.1021/acs.jctc.5b00846)
Ligand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual Screening
PLOS Computational Biology
(2015)
11
e1004477
(doi: 10.1371/journal.pcbi.1004477)
Specific Ion Binding at Phospholipid Membrane Surfaces.
J Chem Theory Comput
(2015)
11
4495
(doi: 10.1021/acs.jctc.5b00540)
Structural model of the bilitranslocase transmembrane domain supported by NMR and FRET data
PloS one
(2015)
10
e0135455
(doi: 10.1371/journal.pone.0135455)
The molecular architecture of the Dam1 kinetochore complex is defined by cross-linking based structural modeling
MOLECULAR BIOLOGY OF THE CELL
(2015)
26
Accuracy of current all-atom force-fields in modeling protein disordered states
Journal of Chemical Theory and Computation
(2014)
11
2
(doi: 10.1021/ct500718s)
Tackling sampling challenges in biomolecular simulations.
Methods in molecular biology (Clifton, N.J.)
(2014)
1215
151
(doi: 10.1007/978-1-4939-1465-4_8)
Cys-Scanning disulfide crosslinking and bayesian modeling probe the transmembrane signaling mechanism of the histidine kinase, PhoQ
Structure
(2014)
22
1239
(doi: 10.1016/j.str.2014.04.019)
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