Publications

159 entries « 4 of 4 »

2020

Cuturello, Francesca; Tiana, Guido; Bussi, Giovanni

Assessing the accuracy of direct-coupling analysis for RNA contact prediction Journal Article

In: RNA, vol. 26, no. 5, pp. 637–647, 2020.

BibTeX | Tags:

Reißer, Sabine; Zucchelli, Silvia; Gustincich, Stefano; Bussi, Giovanni

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.

BibTeX | Tags:

Bussi, Giovanni; Laio, Alessandro

Using metadynamics to explore complex free-energy landscapes Journal Article

In: Nature Reviews Physics, vol. 2, no. 4, pp. 200–212, 2020.

BibTeX | Tags:

ch Mly nsky, Vojte; hrova, Petra Ku; s Ku hr, Toma; Otyepka, Michal; Bussi, Giovanni; s, Pavel Bana; i S poner, Jir

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.

BibTeX | Tags:

Calonaci, Nicola; Jones, Alisha; Cuturello, Francesca; Sattler, Michael; Bussi, Giovanni

Machine learning a model for RNA structure prediction Journal Article

In: NAR Genomics and Bioinformatics, vol. 2, no. 4, pp. lqaa090, 2020.

BibTeX | Tags:

Fröhlking, Thorben; Bernetti, Mattia; Calonaci, Nicola; Bussi, Giovanni

Towards empirical force fields that match experimental observables Journal Article

In: The Journal of Chemical Physics, vol. 152, no. 23, pp. 230902, 2020.

BibTeX | Tags:

Bernetti, Mattia; Bussi, Giovanni

Pressure control using stochastic cell rescaling Journal Article

In: The Journal of Chemical Physics, vol. 153, no. 11, pp. 114107, 2020.

BibTeX | Tags:

Hsu, Wei-Tse; Merz, Pascal; Bussi, Giovanni; Shirts, Michael R

Introduction of Alchemical Variables in Metadynamics to Enhance Configurational Sampling Proceedings Article

In: 2020 Virtual AIChE Annual Meeting, AIChE 2020.

BibTeX | Tags:

Bussi, Giovanni; Laio, Alessandro

Exploring complex free-energy landscapes by metadynamics Journal Article

In: Nat Rev Phys, vol. 2, no. 4, pp. 200–12, 2020.

BibTeX | Tags:

159 entries « 4 of 4 »