Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Mauricio J. del Razo"'
Autor:
Alfke, Dominik, Baines, Weston, Blechschmidt, Jan, Sarmina, Mauricio J. del Razo, Drory, Amnon, Elbrächter, Dennis, Farchmin, Nando, Gambara, Matteo, Glas, Silke, Grohs, Philipp, Hinz, Peter, Kivaranovic, Danijel, Kümmerle, Christian, Kutyniok, Gitta, Lunz, Sebastian, Macdonald, Jan, Malthaner, Ryan, Naisat, Gregory, Neufeld, Ariel, Petersen, Philipp Christian, Reisenhofer, Rafael, Sheng, Jun-Da, Thesing, Laura, Trunschke, Philipp, von Lindheim, Johannes, Weber, David, Weber, Melanie
We present a novel technique based on deep learning and set theory which yields exceptional classification and prediction results. Having access to a sufficiently large amount of labelled training data, our methodology is capable of predicting the la
Externí odkaz:
http://arxiv.org/abs/1901.05744
Autor:
Mauricio J. del Razo, Daniela Frömberg, Arthur V. Straube, Christof Schütte, Felix Höfling, Stefanie Winkelmann
The modeling and simulation of stochastic reaction–diffusion processes is a topic of steady interest that is approached with a wide range of methods. At the level of particle-resolved descriptions, where chemical reactions are coupled to the spatia
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::560360d0d75decdb91508526f2cf47d0
https://refubium.fu-berlin.de/handle/fub188/35218
https://refubium.fu-berlin.de/handle/fub188/35218
Publikováno v:
Journal of Mathematical Physics. 64:013304
The chemical diffusion master equation (CDME) describes the probabilistic dynamics of reaction–diffusion systems at the molecular level [del Razo et al., Lett. Math. Phys. 112, 49 (2022)]; it can be considered as the master equation for reaction–
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62f622b4694abd1719cf5bc1f3ef7839
https://doi.org/10.1063/5.0129620
https://doi.org/10.1063/5.0129620
Publikováno v:
Journal of Chemical Physics, 155(12):124109. American Institute of Physics
A novel approach to simulate simple protein-ligand systems at large time- and length-scales is to couple Markov state models (MSMs) of molecular kinetics with particle-based reaction-diffusion (RD) simulations, MSM/RD. Currently, MSM/RD lacks a mathe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e43b31b847f5d1448f46fd6c5545d79
https://pubmed.ncbi.nlm.nih.gov/34598578
https://pubmed.ncbi.nlm.nih.gov/34598578
Autor:
Rommie E. Amaro, Tim Hempel, Mauricio J. del Razo, Christopher T. Lee, Bryn C. Taylor, Frank Noé
Publikováno v:
Proc Natl Acad Sci U S A
Proceedings of the National Academy of Sciences of the United States of America, vol 118, iss 31
Proceedings of the National Academy of Sciences of the United States of America, 118(31):e2105230118. National Academy of Sciences
Proceedings of the National Academy of Sciences of the United States of America, vol 118, iss 31
Proceedings of the National Academy of Sciences of the United States of America, 118(31):e2105230118. National Academy of Sciences
To advance the mission of in silico cell biology, modeling the interactions of large and complex biological systems becomes increasingly relevant. The combination of molecular dynamics (MD) simulations and Markov state models (MSMs) has enabled the c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e86d5ef7d0be9c08e977078ef09e0d37
https://doi.org/10.1073/pnas.2105230118
https://doi.org/10.1073/pnas.2105230118
Open biochemical systems of interacting molecules are ubiquitous in life-related processes. However, established computational methodologies, like molecular dynamics, are still mostly constrained to closed systems and timescales too small to be relev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e5ad3f58703a8db5a352d6072dc25797
http://arxiv.org/abs/2006.00003
http://arxiv.org/abs/2006.00003
Smoluchowski-type models for diffusion-influenced reactions (A + B → C) can be formulated within two frameworks: the probabilistic-based approach for a pair A, B of reacting particles and the concentration-based approach for systems in contact with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d6e71692773e7e18dcc464f28af42a7
Molecular dynamics (MD) simulations can model the interactions between macromolecules with high spatiotemporal resolution but at a high computational cost. By combining high-throughput MD with Markov state models (MSMs), it is now possible to obtain
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0bdeb6938d1869e05c6e524f5689a7ec
http://arxiv.org/abs/1712.08149
http://arxiv.org/abs/1712.08149
Many experiments in biomedical applications and other disciplines use a shock tube. These experiments often involve placing an experimental sample within a fluid-filled container, which is then placed inside the shock tube. The shock tube produces an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b011fa240b635872cf36fdfb94417b7
http://arxiv.org/abs/1604.08544
http://arxiv.org/abs/1604.08544