3 papers
cond-mat.mtrl-sci2018
Structural, Electronic and Mechanical properties of all-sp graphene allotropes: the specific strength of tilene parent is higher than that of graphene and flakene has the minimal density
Tommaso Morresi, Andrea Pedrielli, Silvio a Beccara +3
In this work a systematic approach to the search for all- bonded carbon allotropes with low density is presented. In particular, we obtain a number of novel energetically sta…
physics.bio-ph2017
Self Consistent Path Sampling: Making Accurate All-Atom Protein Folding Simulations Possible on Small Computer Clusters
S. Orioli, S. A Beccara, P. Faccioli
We introduce a powerful iterative algorithm to compute protein folding pathways, with realistic all-atom force fields. Using the path integral formalism, we explicitly derive a mod…
q-bio.BM2013
Folding Pathways of a Knotted Protein with a Realistic Atomistic Force Field
Silvio a Beccara, Tatjana Skrbic, Roberto Covino +2
We report on atomistic simulation of the folding of a natively-knotted protein, MJ0366, based on a realistic force field. To the best of our knowledge this is the first reported ef…