Zobrazeno 1 - 10
of 42
pro vyhledávání: '"Enrico Riccardi"'
Publikováno v:
PeerJ Physical Chemistry, Vol 2, p e7 (2020)
Atmospheric reactions, hitherto studied computationally mainly with static computations in conjunction with transition state theories, can be further described via path sampling calculations. Here we report on an exploratory study of the formic acid
Externí odkaz:
https://doaj.org/article/919813d56bc34ecca47484a4a080b4d2
Publikováno v:
PLoS Computational Biology, Vol 15, Iss 3, p e1006845 (2019)
Bacteria contain several nucleoid-associated proteins that organize their genomic DNA into the nucleoid by bending, wrapping or bridging DNA. The Histone-like Nucleoid Structuring protein H-NS found in many Gram-negative bacteria is a DNA bridging pr
Externí odkaz:
https://doaj.org/article/f2c119e0c8d8429c96dc1dc91f0c56aa
Path sampling allows the study of rare events like chemical reactions, nucleation and protein folding via a Monte Carlo (MC) exploration in path space. Instead of configuration points, this method samples short molecular dynamics (MD) trajectories wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e9f1296ac445696d9da62d5d05893268
http://arxiv.org/abs/2210.07026
http://arxiv.org/abs/2210.07026
Publikováno v:
Journal of Chemical Theory and Computation
We propose to analyze molecular dynamics (MD) output via a supervised machine learning (ML) algorithm, the decision tree. The approach aims to identify the predominant geometric features which correlate with trajectories that transition between two a
Publikováno v:
RSC Advances
An emulsion is a thermodynamically unstable system consisting of at least two immiscible liquid phases, one of which is dispersed in the other in the form of droplets of varying size. Most studies on emulsions have focused on the behaviour of emulsio
Autor:
Anders Lervik, Ingeborg-Helene Svenum, Zhaohui Wang, Raffaela Cabriolu, Enrico Riccardi, Stefan Andersson, Titus S. van Erp
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(14)
Using molecular dynamics and path sampling techniques we investigated the effect of pressure and defects in the wurtzite to rock salt transition in cadmium selenide (CdSe). In the pressure range 2-10 GPa, rate constants of transition are in the order
Publikováno v:
127808-?
Colloids and Surfaces A: Physicochemical and Engineering Aspects
Colloids and Surfaces A: Physicochemical and Engineering Aspects
Coalescence is a critical phenomenon in separation and transport processes. An improved understanding of coalescence can enhance current models predicting emulsion stability and separation. We here report a combined experimental and simulation study
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ed8a3853a9d8711880d86ab22e324b1
https://hdl.handle.net/11250/2988269
https://hdl.handle.net/11250/2988269
Autor:
Chakravarthi Kanduri, Alexandre Almeida Costa, Eivind Hovig, Antonio Martini, Michael Widrich, Ghadi S. Al Hajj, Ingrid Hobæk Haff, Ivar Grytten, Radmila Kompova, Andrei Slabodkin, Cédric R. Weber, Ludvig M. Sollid, Gabriel Balaban, Knut Dagestad Rand, Fabian L. M. Bernal, Victor Greiff, Gur Yaari, Marieke L. Kuijjer, Artur Rocha, Enrico Riccardi, Knut Waagan, Brian Corrie, Igor Snapkov, Lonneke Scheffer, Nikolay Vazov, Milena Pavlović, Robert Frank, Dmytro Titov, Maria Chernigovskaya, Johan Pensar, Rahmad Akbar, Todd M. Brusko, Scott Christley, Keshav Motwani, Geir Kjetil Sandve, Philippe Robert, Thomas Minotto, Ping-Han Hsieh, Sveinung Gundersen, Christin Lund-Andersen, Lindsay G. Cowell, Günter Klambauer
Publikováno v:
Nat Mach Intell
Adaptive immune receptor repertoires (AIRR) are key targets for biomedical research as they record past and ongoing adaptive immune responses. The capacity of machine learning (ML) to identify complex discriminative sequence patterns renders it an id
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::65225dec4d5ad9e94648449a645b13a2
https://europepmc.org/articles/PMC10312379/
https://europepmc.org/articles/PMC10312379/
Autor:
Thomas Tichelkamp, Enrico Riccardi
Publikováno v:
Colloids and Surfaces A: Physicochemical and Engineering Aspects. 573:246-254
The influence of ion type at constant ionic strength on the surfactant layer present between a polar and a non-polar liquid has been investigated. The investigated systems are composed of sodium bis(2-ethylhexyl) sulfosuccinate (AOT), dodecane and br
Autor:
Knut Waagan, Brian Corrie, Chakravarthi Kanduri, Victor Greiff, Artur Rocha, Antonio Martini, Lonneke Scheffer, Alexandre Almeida Costa, Gabriel Balaban, Ingrid Hobæk Haff, Christin Lund-Andersen, Sepp Hochreiter, Fabian L. M. Bernal, Lindsay G. Cowell, Cédric R. Weber, Todd M. Brusko, Maria Chernigovskaya, Scott Christley, Keshav Motwani, Ghadi S. Al Hajj, Knut Dagestad Rand, Johan Pensar, Igor Snapkov, Günter Klambauer, Milena Pavlović, Eivind Hovig, Robert Frank, Gur Yaari, Ping-Han Hsieh, Dmytro Titov, Enrico Riccardi, Ivar Grytten, Andrei Slabodkin, Rahmad Akbar, Sveinung Gundersen, Nikolay Vazov, Philippe Robert, Thomas Minotto, Ludvig M. Sollid, Marieke L. Kuijjer, Radmila Kompova, Michael Widrich, Geir Kjetil Sandve
Adaptive immune receptor repertoires (AIRR) are key targets for biomedical research as they record past and ongoing adaptive immune responses. The capacity of machine learning (ML) to identify complex discriminative sequence patterns renders it an id
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cb6d82b64efdaa4a6187b0a23954ca5d
https://doi.org/10.1101/2021.03.08.433891
https://doi.org/10.1101/2021.03.08.433891