Zobrazeno 1 - 10
of 110
pro vyhledávání: '"Wüst Thomas"'
Autor:
Okoniewski Michal J., Wiegand Anna, Schmid Diana Coman, Bolliger Christian, Bovino Cristian, Belluco Mattia, Wüst Thomas, Byrde Olivier, Maffioletti Sergio, Rinn Bernd
Publikováno v:
Journal of Integrative Bioinformatics, Vol 21, Iss 3, Pp 1170-4 (2024)
This paper provides an overview of the development and operation of the Leonhard Med Trusted Research Environment (TRE) at ETH Zurich. Leonhard Med gives scientific researchers the ability to securely work on sensitive research data. We give an overv
Externí odkaz:
https://doaj.org/article/f0b4ebf756d64105a6b84bf0d250c664
Autor:
Wüst, Thomas, Landau, David P.
Publikováno v:
Phys. Rev. Lett. 102, 178101 (2009)
We show that Wang-Landau sampling, combined with suitable Monte Carlo trial moves, provides a powerful method for both the ground state search and the determination of the density of states for the hydrophobic-polar (HP) protein model and the interac
Externí odkaz:
http://arxiv.org/abs/1503.04433
Publikováno v:
Phys. Rev. Lett. 114, 028102 (2015)
Knots are abundant in globular homopolymers but rare in globular proteins. To shed new light on this long-standing conundrum, we study the influence of sequence on the formation of knots in proteins under native conditions within the framework of the
Externí odkaz:
http://arxiv.org/abs/1503.04432
We investigate a generic, parallel replica-exchange framework for Monte Carlo simulations based on the Wang-Landau method. To demonstrate its advantages and general applicability for massively parallel simulations of complex systems, we apply it to l
Externí odkaz:
http://arxiv.org/abs/1407.5140
We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping sub-windo
Externí odkaz:
http://arxiv.org/abs/1402.2328
Publikováno v:
J. Phys.: Conf. Ser. 487, 012001 (2014)
Combining traditional Wang-Landau sampling for multiple replica systems with an exchange of densities of states between replicas, we describe a general framework for simulations on massively parallel Petaflop supercomputers. The advantages and genera
Externí odkaz:
http://arxiv.org/abs/1312.3004
Publikováno v:
Phys. Rev. Lett. 110, 210603 (2013)
We introduce a parallel Wang-Landau method based on the replica-exchange framework for Monte Carlo simulations. To demonstrate its advantages and general applicability for simulations of complex systems, we apply it to different spin models including
Externí odkaz:
http://arxiv.org/abs/1305.5615
Publikováno v:
Phys. Rev. E 87, 012706 (2013)
The thermodynamic behavior and structural properties of hydrophobic-polar (HP) lattice proteins interacting with attractive surfaces are studied by means of Wang-Landau sampling. Three benchmark HP sequences (48mer, 67mer, and 103mer) are considered
Externí odkaz:
http://arxiv.org/abs/1301.3462
Publikováno v:
J. Stat. Phys. 144, 638-651 (2011)
We describe a class of "bare bones" models of homopolymers which undergo coil-globule collapse and proteins which fold into their native states in free space or into denatured states when captured by an attractive substrate as the temperature is lowe
Externí odkaz:
http://arxiv.org/abs/1301.3466