2020
Assessing the accuracy of direct-coupling analysis for RNA contact prediction Journal Article
In: RNA, vol. 26, no. 5, pp. 637–647, 2020.
Conformational ensembles of an RNA hairpin using molecular dynamics and sparse NMR data Journal Article
In: Nucleic Acids Research, vol. 48, no. 3, pp. 1164–1174, 2020.
Using metadynamics to explore complex free-energy landscapes Journal Article
In: Nature Reviews Physics, vol. 2, no. 4, pp. 200–212, 2020.
Fine-tuning of the AMBER RNA force field with a new term adjusting interactions of terminal nucleotides Journal Article
In: Journal of chemical theory and computation, vol. 16, no. 6, pp. 3936–3946, 2020.
Machine learning a model for RNA structure prediction Journal Article
In: NAR Genomics and Bioinformatics, vol. 2, no. 4, pp. lqaa090, 2020.
Towards empirical force fields that match experimental observables Journal Article
In: The Journal of Chemical Physics, vol. 152, no. 23, pp. 230902, 2020.
Pressure control using stochastic cell rescaling Journal Article
In: The Journal of Chemical Physics, vol. 153, no. 11, pp. 114107, 2020.
Introduction of Alchemical Variables in Metadynamics to Enhance Configurational Sampling Proceedings Article
In: 2020 Virtual AIChE Annual Meeting, AIChE 2020.
Exploring complex free-energy landscapes by metadynamics Journal Article
In: Nat Rev Phys, vol. 2, no. 4, pp. 200–12, 2020.