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- Oscar González
- 2006

This paper develops a formalism for the design of conserving time-integration schemes for Hamiltonian systems with symmetry. The main result is that, through the introduction of a discrete… (More)

Many different physical systems, e.g. super-coiled DNA molecules, have been successfully modelled as elastic curves, ribbons or rods. We will describe all such systems as framed curves, and will… (More)

- Oscar González, Daiva Petkeviciute, John H Maddocks
- The Journal of chemical physics
- 2013

A novel hierarchy of coarse-grain, sequence-dependent, rigid-base models of B-form DNA in solution is introduced. The hierarchy depends on both the assumed range of energetic couplings, and the… (More)

- Filip Lankaš, Oscar González, L M Heffler, Gautier Stoll, M. Moakher, John H Maddocks
- Physical chemistry chemical physics : PCCP
- 2009

A method is described to extract a complete set of sequence-dependent material parameters for rigid base and basepair models of DNA in solution from atomistic molecular dynamics simulations. The… (More)

- Oscar González
- 1999

The numerical integration in time of the equations of motion for mechanical systems subject to holonomic constraints is considered. Schemes are introduced for the direct treatment of a… (More)

- Oscar González
- 1999

Implicit time integration schemes that inherit the conservation laws of total energy, linear and angular momentum are considered for initial boundary-value problems in finite-deformation… (More)

- Daiva Petkeviciute, Marco Pasi, Oscar González, J. H. Maddocks
- Nucleic acids research
- 2014

cgDNA is a package for the prediction of sequence-dependent configuration-space free energies for B-form DNA at the coarse-grain level of rigid bases. For a fragment of any given length and sequence,… (More)

- Oscar González, Rubby Casallas, Dirk Deridder
- BIS
- 2009

Business Process Management approaches incorporate an analysis phase as an essential activity to improve business processes. Although business processes are defined at a high-level of abstraction,… (More)

Physical strands or sheets that can be modelled as curves or surfaces embedded in three dimensions are ubiquitous in nature, and are of fundamental importance in mathematics, physics, biology, and… (More)

- Oscar González, Jing Li
- The Journal of chemical physics
- 2008

A boundary element model for the computation of sequence-dependent hydrodynamic properties of short DNA molecules is introduced. The hydrated surface is modeled as a curved tube of uniform radius… (More)