Results 31 to 40 of about 768,832 (268)
MISTIQS: An open-source software for performing quantum dynamics simulations on quantum computers
SoftwareX, 2021 We present MISTIQS, a Multiplatform Software for Time-dependent Quantum Simulations. MISTIQS delivers end-to-end functionality for simulating the quantum many-body dynamics of systems governed by time-dependent Heisenberg Hamiltonians across multiple ...
Connor Powers +7 more
doaj +1 more source
Modulation of Homer1 EVH1 domain internal dynamics by putative autism‐associated mutations
FEBS Letters, EarlyView.The putative autism‐associated M65I and S97L variants of the EVH1 domain of the postsynaptic scaffold protein Homer1 do not exhibit substantial changes in their overall structure or partner binding. Both of them, but especially the M65I variant, show altered internal dynamics relative to the wild‐type domain on the μs‐ms timescale, indicated by the ...
Fanni Farkas +6 more
wiley +1 more source
PharmaceuticsThis study aimed to develop a physiologically based pharmacokinetic (PBPK) model that simulates metabolically cleared compounds’ pharmacokinetics (PK) in pregnant subjects and fetuses.
Maxime Le Merdy +4 more
doaj +1 more source
Leptogenesis, fermion masses and mixings in a SUSY SU(5) GUT with D 4 flavor symmetry
Journal of High Energy Physics, 2021 We propose a model of fermion masses and mixings based on SU(5) grand unified theory (GUT) and a D 4 flavor symmetry. This is a highly predictive 4D SU(5) GUT with a flavor symmetry that does not contain a triplet irreducible representation.
M. Miskaoui, M. A. Loualidi
doaj +1 more source
Simulation Techniques for Cosmological Simulations [PDF]
Space Science Reviews, 2008 42 pages, 16 figures, accepted for publication in Space Science Reviews, special issue "Clusters of galaxies: beyond the thermal view", Editor J.S. Kaastra, Chapter 12; work done by an international team at the International Space Science Institute (ISSI), Bern, organised by J.S. Kaastra, A.M. Bykov, S.
Stefano Borgani +4 more
openaire +5 more sources
Structural insights and therapeutic targets in Acinetobacter baumannii capsule biosynthesis
FEBS Letters, EarlyView.Hypervirulent KL49 A. baumannii's capsular polysaccharide contains the nonulosonic acid 8‐epi‐Leg5,7Ac2, synthesized by epimerization via ElaA, ElaB, and ElaC. Crystal structures of ElaA, ElaB, and ElaC reveal their role in CMP‐Leg5,7Ac2 synthesis and regioselective C8 epimerization.
Woo Cheol Lee +7 more
wiley +1 more source
Computational Studies of Snake Venom Toxins
Toxins, 2017 Most snake venom toxins are proteins, and participate to envenomation through a diverse array of bioactivities, such as bleeding, inflammation, and pain, cytotoxic, cardiotoxic or neurotoxic effects.
Paola G. Ojeda +5 more
doaj +1 more source
To Simulate or Not to Simulate: What Are the Questions? [PDF]
Neuron, 2014 Simulation is a powerful method in science and engineering. However, simulation is an umbrella term, and its meaning and goals differ among disciplines. Rapid advances in neuroscience and computing draw increasing attention to large-scale brain simulations. What is the meaning of simulation, and what should the method expect to achieve?
Dudai, Yadin, Evers, Kathinka
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Modelling stem cell differentiation related processes—A practical overview for biologists
FEBS Letters, EarlyView.Stem cell differentiation is complex and difficult to control experimentally. This review introduces suitable computational modelling approaches that can support stem cell research, from mechanistic ODE and abstract models to multiscale and deep learning methods.
Ricco Zeegelaar +4 more
wiley +1 more source
Theoretical Computer Science, 2010 Boolean notions of correctness are formalized by preorders on systems. Quantitative measures of correctness can be formalized by real-valued distance functions between systems, where the distance between implementation and specification provides a measure of “fit” or “desirability.” We extend the simulation preorder to the quantitative setting, by ...
Cerný +3 more
openaire +2 more sources