Thermal motion in proteins: Large effects on the time-averaged interaction energies

Autor: Martin Goethe, Ignacio Fita, J. Miguel Rubi

Publikováno v: AIP Advances, Vol 6, Iss 3, Pp 035020-035020-12 (2016)

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but

Externí odkaz: https://doaj.org/article/a2a2aa2be9c6497998ba1973f7d06086

Prediction of Protein Configurational Entropy (Popcoen)

Autor: Martin Goethe, J. Miguel Rubi, Ignacio Fita, Jan Gleixner

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
instname

A knowledge-based method for configurational entropy prediction of proteins is presented; this methodology is extremely fast, compared to previous approaches, because it does not involve any type of configurational sampling. Instead, the configuratio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3181af1900bfc74a1480b62ed219e798
https://doi.org/10.1021/acs.jctc.7b01079

BacMam immunization partially protects pigs against sublethal challenge with African swine fever virus

Autor: Martin Goethe, Günther M. Keil, Katrin Giesow, J.M. Escribano, Sergio López, Fernando Rodriguez, Eva Pérez-Martín, Jordi Argilaguet

Publikováno v: Repositorio de Resultados de Investigación del INIA
Instituto Nacional de Investigación y Tecnología Agraria y Alimentaria INIA
INIA: Repositorio de Resultados de Investigación del INIA

Lack of vaccines and efficient control measures complicate the control and eradication of African swine fever (ASF). Limitations of conventional inactivated and attenuated virus-based vaccines against African swine fever virus (ASFV) highlight the ne

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57e4f1e87691c520783e44b1262b8a82
https://doi.org/10.1016/j.antiviral.2013.02.005

Thermal motion in proteins: Large effects on the time-averaged interaction energies

Autor: J. Miguel Rubi, Martin Goethe, Ignacio Fita

Publikováno v: AIP Advances, Vol 6, Iss 3, Pp 035020-035020-12 (2016)
Digital.CSIC. Repositorio Institucional del CSIC
instname

As a consequence of thermal motion, inter-atomic distances in proteins fluctuate strongly around their average values, and hence, also interaction energies (i.e. the pair-potentials evaluated at the fluctuating distances) are not constant in time but

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::31feb27759aadc14b0f4b80d98a8252f
https://doaj.org/article/a2a2aa2be9c6497998ba1973f7d06086

Elementary excitations and avalanches in the Coulomb glass

Autor: Matteo Palassini, Martin Goethe

Publikováno v: Journal of Physics: Conference Series. 376:012009

We study numerically the statistics of elementary excitations and charge avalanches in the classical Coulomb glass model of localized charges with unscreened Coulomb interaction and disorder. We compute the single-particle density of states with an e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cefdc36aee57ff18f70d9b84d1c22380
https://doi.org/10.1088/1742-6596/376/1/012009