Zobrazeno 1 - 10
of 448
pro vyhledávání: '"E, Crooks"'
Autor:
Grzegorz Nawrocki, Igor Leontyev, Serzhan Sakipov, Mikhail Darkhovskiy, Igor Kurnikov, Leonid Pereyaslavets, Ganesh Kamath, Ekaterina Voronina, Oleg Butin, Alexey Illarionov, Michael Olevanov, Alexander Kostikov, Ilya Ivahnenko, Dhilon S. Patel, Subramanian K. R. S. Sankaranarayanan, Maria G. Kurnikova, Christopher Lock, Gavin E. Crooks, Michael Levitt, Roger D. Kornberg, Boris Fain
Publikováno v:
Journal of chemical theory and computation. 18(12)
Protein-ligand binding free-energy calculations using molecular dynamics (MD) simulations have emerged as a powerful tool for in silico drug design. Here, we present results obtained with the ARROW force field (FF)─a multipolar polarizable and phys
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a6647496d656a1bce2d90a505a2fc60
https://pubmed.ncbi.nlm.nih.gov/36459593
https://pubmed.ncbi.nlm.nih.gov/36459593
Autor:
Michelle Lu, Rachel E. Crooks, Diana F. Pricop, Emily Cox, Beatrice Anghelescu, Mark Hamilton, Davide Martino, Veronica Bruno, Colin B. Josephson, Scott Patten, Eric E. Smith, Pamela Roach
Publikováno v:
Health and Technology.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e3d0378d4070058ccfd2f9a7d2e7f7d
https://doi.org/10.1007/s12553-023-00754-2
https://doi.org/10.1007/s12553-023-00754-2
Akademický článek
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Akademický článek
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Autor:
Leonardo Banchi, Gavin E. Crooks
Publikováno v:
Quantum, Vol 5, p 386 (2021)
Hybrid quantum-classical optimization algorithms represent one of the most promising application for near-term quantum computers. In these algorithms the goal is to optimize an observable quantity with respect to some classical parameters, using feed
Externí odkaz:
https://doaj.org/article/3a8672fe4fa643ceb40865fc6cf6760a
Publikováno v:
Quantum, Vol 4, p 247 (2020)
For a native gate set which includes all single-qubit gates, we apply results from symplectic geometry to analyze the spaces of two-qubit programs accessible within a fixed number of gates. These techniques yield an explicit description of this subsp
Externí odkaz:
https://doaj.org/article/4b6c6ba9fd084a24ad43d5c3c4b8a96c
Publikováno v:
Frontiers in Molecular Biosciences, Vol 5 (2018)
CD4+ and CD8+ αβ T cell antigen recognition is determined by the interaction between the TCR Complementarity Determining Region (CDR) loops and the peptide-presenting MHC complex. These T cells are known for their ability to recognize multiple pMHC
Externí odkaz:
https://doaj.org/article/27b1f40eec14406eb8c799c5c7fde267
Autor:
Benjelene D. Sutherland, Patricio M. Viera Perez, Katharine E. Crooks, Jessica S. Flannery, Lauren D. Hill-Bowen, Michael C. Riedel, Angela R. Laird, Elisa M. Trucco, Matthew T. Sutherland
Publikováno v:
Addictive behaviors. 135
Adolescent electronic cigarette (e-cigarette) use remains high. Elucidating contributing factors may enhance prevention strategies. Neurobiologically, amygdala-insula resting-state functional connectivity (rsFC) has been linked with aspects of sleep,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62476203cfe5f1436d89d114033f9b84
https://pubmed.ncbi.nlm.nih.gov/35998541
https://pubmed.ncbi.nlm.nih.gov/35998541
Autor:
Josh Fass, David A. Sivak, Gavin E. Crooks, Kyle A. Beauchamp, Benedict Leimkuhler, John D. Chodera
Publikováno v:
Entropy, Vol 20, Iss 5, p 318 (2018)
While Langevin integrators are popular in the study of equilibrium properties of complex systems, it is challenging to estimate the timestep-induced discretization error: the degree to which the sampled phase-space or configuration-space probability
Externí odkaz:
https://doaj.org/article/b60a535852db43bc8f751bb43eb0c280
Publikováno v:
Acta Materialia. 173:231-241
Aluminum-lithium alloys offer high specific-strength and -stiffness which makes them attractive for aerospace applications. However, several material related challenges have limited the use of these alloys including a tendency for grain boundary crac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::51c5f1b30d245e3ced6cbea1c82b4e4b
https://doi.org/10.1016/j.actamat.2019.04.030
https://doi.org/10.1016/j.actamat.2019.04.030