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European Journal of Medicinal Chemistry|September 22, 2014
Computational insights into function and inhibition of fatty acid amide hydrolaseGiulia Palermo, Ursula Rothlisberger, Andrea Cavalli, et al.Bioinformatics (Oxford, England)|May 22, 2020
Spathial: an R package for the evolutionary analysis of biological dataErika Gardini, Federico M Giorgi, Sergio Decherchi, et al.Journal of Structural Biology|July 25, 2015
Complementarity and congruence between exact NOEs and traditional NMR probes for spatial decoding of protein dynamicsBeat Vögeli, Simon Olsson, Roland Riek, et al.Biophysical Journal|January 9, 2016
The Exact NOE as an Alternative in Ensemble Structure DeterminationBeat Vögeli, Simon Olsson, Peter Güntert, et al.Data in Brief|October 28, 2015
Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3Beat Vögeli, Simon Olsson, Roland Riek, et al.Scientific Reports|January 31, 2018
A scalable approach to the computation of invariant measures for high-dimensional Markovian systemsSusanne Gerber, Simon Olsson, Frank Noé, et al.Science (New York, N.Y.)|September 7, 2019
Boltzmann generators: Sampling equilibrium states of many-body systems with deep learningFrank Noé, Simon Olsson, Jonas Köhler, et al.Journal of Chemical Information and Modeling|February 9, 2012
Combining dyad protonation and active site plasticity in BACE-1 structure-based drug designPuneet Kacker, Matteo Masetti, Martina Mangold, et al.The Journal of Physical Chemistry. B|March 30, 2012
Protein structure validation using side-chain chemical shiftsAleksandr B Sahakyan, Andrea Cavalli, Wim F Vranken, et al.Journal of Chemical Information and Modeling|October 1, 2015
Unveiling the Atomic-Level Determinants of Acylase-Ligand Complexes: An Experimental and Computational StudyLuca Mollica, Gianluca Conti, Loredano Pollegioni, et al.Pageof 44