Zobrazeno 1 - 10
of 1 515
pro vyhledávání: '"J. Harry"'
Autor:
J. Harry Moore, Christian Margreitter, Jon Paul Janet, Ola Engkvist, Bert L. de Groot, Vytautas Gapsys
Publikováno v:
Communications Chemistry, Vol 6, Iss 1, Pp 1-12 (2023)
Abstract In drug discovery, computational methods are a key part of making informed design decisions and prioritising experiments. In particular, optimizing compound affinity is a central concern during the early stages of development. In the last 10
Externí odkaz:
https://doaj.org/article/e61fcb9fe4934f0ebbdda11498708408
Autor:
Deepak R. Unni, Sierra A. T. Moxon, Michael Bada, Matthew Brush, Richard Bruskiewich, J. Harry Caufield, Paul A. Clemons, Vlado Dancik, Michel Dumontier, Karamarie Fecho, Gustavo Glusman, Jennifer J. Hadlock, Nomi L. Harris, Arpita Joshi, Tim Putman, Guangrong Qin, Stephen A. Ramsey, Kent A. Shefchek, Harold Solbrig, Karthik Soman, Anne E. Thessen, Melissa A. Haendel, Chris Bizon, Christopher J. Mungall, The Biomedical Data Translator Consortium
Publikováno v:
Clinical and Translational Science, Vol 15, Iss 8, Pp 1848-1855 (2022)
Abstract Within clinical, biomedical, and translational science, an increasing number of projects are adopting graphs for knowledge representation. Graph‐based data models elucidate the interconnectedness among core biomedical concepts, enable data
Externí odkaz:
https://doaj.org/article/51789557b3144741819afc43c3755e97
Autor:
Justin T. Reese, Hannah Blau, Elena Casiraghi, Timothy Bergquist, Johanna J. Loomba, Tiffany J. Callahan, Bryan Laraway, Corneliu Antonescu, Ben Coleman, Michael Gargano, Kenneth J. Wilkins, Luca Cappelletti, Tommaso Fontana, Nariman Ammar, Blessy Antony, T.M. Murali, J. Harry Caufield, Guy Karlebach, Julie A. McMurry, Andrew Williams, Richard Moffitt, Jineta Banerjee, Anthony E. Solomonides, Hannah Davis, Kristin Kostka, Giorgio Valentini, David Sahner, Christopher G. Chute, Charisse Madlock-Brown, Melissa A. Haendel, Peter N. Robinson, Heidi Spratt, Shyam Visweswaran, Joseph Eugene Flack, IV, Yun Jae Yoo, Davera Gabriel, G. Caleb Alexander, Hemalkumar B. Mehta, Feifan Liu, Robert T. Miller, Rachel Wong, Elaine L. Hill, Lorna E. Thorpe, Jasmin Divers
Publikováno v:
EBioMedicine, Vol 87, Iss , Pp 104413- (2023)
Summary: Background: Stratification of patients with post-acute sequelae of SARS-CoV-2 infection (PASC, or long COVID) would allow precision clinical management strategies. However, long COVID is incompletely understood and characterised by a wide ra
Externí odkaz:
https://doaj.org/article/f4635ea98874437da59d335d9ba0de7a
Autor:
Andrew D. Hirons, J. Harry R. Watkins, Tim J. Baxter, Jason W. Miesbauer, Andrew Male‐Muñoz, Kevin W. E. Martin, Nina L. Bassuk, Henrik Sjöman
Publikováno v:
Plants, People, Planet, Vol 3, Iss 2, Pp 182-193 (2021)
Societal Impact Statement Diversification of urban forests is essential to enhance their resilience to future biotic threats as well as those posed by a changing climate. Arboreta and botanic gardens host a wide range of plant material that can be ev
Externí odkaz:
https://doaj.org/article/9ab10bedf77947a49570eb777e110d7b
Autor:
Hegde, Harshad, Vendetti, Jennifer, Goutte-Gattat, Damien, Caufield, J Harry, Graybeal, John B, Harris, Nomi L, Karam, Naouel, Kindermann, Christian, Matentzoglu, Nicolas, Overton, James A, Musen, Mark A, Mungall, Christopher J
Ontologies and knowledge graphs (KGs) are general-purpose computable representations of some domain, such as human anatomy, and are frequently a crucial part of modern information systems. Most of these structures change over time, incorporating new
Externí odkaz:
http://arxiv.org/abs/2409.13906
Free energies play a central role in characterising the behaviour of chemical systems and are among the most important quantities that can be calculated by molecular dynamics simulations. The free energy of hydration in particular is a well-studied p
Externí odkaz:
http://arxiv.org/abs/2405.18171
Autor:
Joachimiak, Marcin P., Miller, Mark A., Caufield, J. Harry, Ly, Ryan, Harris, Nomi L., Tritt, Andrew, Mungall, Christopher J., Bouchard, Kristofer E.
The Artificial Intelligence Ontology (AIO) is a systematization of artificial intelligence (AI) concepts, methodologies, and their interrelations. Developed via manual curation, with the additional assistance of large language models (LLMs), AIO aims
Externí odkaz:
http://arxiv.org/abs/2404.03044
Autor:
Batatia, Ilyes, Benner, Philipp, Chiang, Yuan, Elena, Alin M., Kovács, Dávid P., Riebesell, Janosh, Advincula, Xavier R., Asta, Mark, Avaylon, Matthew, Baldwin, William J., Berger, Fabian, Bernstein, Noam, Bhowmik, Arghya, Blau, Samuel M., Cărare, Vlad, Darby, James P., De, Sandip, Della Pia, Flaviano, Deringer, Volker L., Elijošius, Rokas, El-Machachi, Zakariya, Falcioni, Fabio, Fako, Edvin, Ferrari, Andrea C., Genreith-Schriever, Annalena, George, Janine, Goodall, Rhys E. A., Grey, Clare P., Grigorev, Petr, Han, Shuang, Handley, Will, Heenen, Hendrik H., Hermansson, Kersti, Holm, Christian, Jaafar, Jad, Hofmann, Stephan, Jakob, Konstantin S., Jung, Hyunwook, Kapil, Venkat, Kaplan, Aaron D., Karimitari, Nima, Kermode, James R., Kroupa, Namu, Kullgren, Jolla, Kuner, Matthew C., Kuryla, Domantas, Liepuoniute, Guoda, Margraf, Johannes T., Magdău, Ioan-Bogdan, Michaelides, Angelos, Moore, J. Harry, Naik, Aakash A., Niblett, Samuel P., Norwood, Sam Walton, O'Neill, Niamh, Ortner, Christoph, Persson, Kristin A., Reuter, Karsten, Rosen, Andrew S., Schaaf, Lars L., Schran, Christoph, Shi, Benjamin X., Sivonxay, Eric, Stenczel, Tamás K., Svahn, Viktor, Sutton, Christopher, Swinburne, Thomas D., Tilly, Jules, van der Oord, Cas, Varga-Umbrich, Eszter, Vegge, Tejs, Vondrák, Martin, Wang, Yangshuai, Witt, William C., Zills, Fabian, Csányi, Gábor
Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and hum
Externí odkaz:
http://arxiv.org/abs/2401.00096
Autor:
Kovács, Dávid Péter, Moore, J. Harry, Browning, Nicholas J., Batatia, Ilyes, Horton, Joshua T., Kapil, Venkat, Witt, William C., Magdău, Ioan-Bogdan, Cole, Daniel J., Csányi, Gábor
Classical empirical force fields have dominated biomolecular simulation for over 50 years. Although widely used in drug discovery, crystal structure prediction, and biomolecular dynamics, they generally lack the accuracy and transferability required
Externí odkaz:
http://arxiv.org/abs/2312.15211
Autor:
Matentzoglu, Nicolas, Caufield, J. Harry, Hegde, Harshad B., Reese, Justin T., Moxon, Sierra, Kim, Hyeongsik, Harris, Nomi L., Haendel, Melissa A, Mungall, Christopher J.
Aligning terminological resources, including ontologies, controlled vocabularies, taxonomies, and value sets is a critical part of data integration in many domains such as healthcare, chemistry, and biomedical research. Entity mapping is the process
Externí odkaz:
http://arxiv.org/abs/2310.03666