Zobrazeno 1 - 10
of 110
pro vyhledávání: '"P. J. de Pablo"'
Autor:
Riccardo Alessandri, Cheng-Han Li, Sheila Keating, Khirabdhi T. Mohanty, Aaron Peng, Jodie L. Lutkenhaus, Stuart J. Rowan, Daniel P. Tabor, Juan J. de Pablo
Publikováno v:
JACS Au, Vol 4, Iss 6, Pp 2300-2311 (2024)
Externí odkaz:
https://doaj.org/article/bc2e96173cdf47209785196a65aac30d
Autor:
Meng Shen, Marcos A. Reyes-Martinez, Louise Ahure Powell, Mark A. Iadicola, Abhishek Sharma, Fabian Byléhn, Nidhi Pashine, Edwin P. Chan, Christopher L. Soles, Heinrich M. Jaeger, Juan J. de Pablo
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-9 (2024)
Abstract Auxetic materials have a negative Poisson’s ratio and are of significant interest in applications that include impact mitigation, membrane separations and biomedical engineering. While there are numerous examples of structured materials th
Externí odkaz:
https://doaj.org/article/1b50321b8d774563ade944e321668aa4
Autor:
Pablo F. Zubieta Rico, Ludwig Schneider, Gustavo R. Pérez-Lemus, Riccardo Alessandri, Siva Dasetty, Trung D. Nguyen, Cintia A. Menéndez, Yiheng Wu, Yezhi Jin, Yinan Xu, Samuel Varner, John A. Parker, Andrew L. Ferguson, Jonathan K. Whitmer, Juan J. de Pablo
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-12 (2024)
Abstract Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced sampling methods and techniques that permit calculation of t
Externí odkaz:
https://doaj.org/article/2a70322fb5f74d0a893a5a7f7c6d0ad7
Autor:
Martina Clairand, Ali Mozaffari, Jerôme Hardoüin, Rui Zhang, Claire Doré, Jordi Ignés-Mullol, Francesc Sagués, Juan J. de Pablo, Teresa Lopez-Leon
Publikováno v:
Physical Review X, Vol 14, Iss 3, p 031049 (2024)
We investigate the steady state of an ellipsoidal active nematic shell using experiments and numerical simulations. We create the shells by coating microsized ellipsoidal droplets with a protein-based active cytoskeletal gel, thus obtaining ellipsoid
Externí odkaz:
https://doaj.org/article/1e978916e8f84a6f9412d09e92240564
Autor:
David Reguera, Pedro J. de Pablo, Nicola G. A. Abrescia, Mauricio G. Mateu, Javier Hernández-Rojas, José R. Castón, Carmen San Martín
Publikováno v:
Biophysica, Vol 3, Iss 4, Pp 598-619 (2023)
Virus particles consist of a protein coat that protects their genetic material and delivers it to the host cell for self-replication. Understanding the interplay between virus structure and function is a requirement for understanding critical process
Externí odkaz:
https://doaj.org/article/1cc7d9dd5d9243849f143867552afda0
Publikováno v:
Journal of Synchrotron Radiation, Vol 29, Iss 3, Pp 721-731 (2022)
Bayesian-inference-based approaches, in particular the random-walk Markov Chain Monte Carlo (MCMC) method, have received much attention recently for X-ray scattering analysis. Hamiltonian MCMC, a state-of-the-art development in the field of MCMC, has
Externí odkaz:
https://doaj.org/article/0ad20fa8f68d4cb4bd0980f3bcf55404
Autor:
Cintia A. Menendez, Adil Mohamed, Gustavo R. Perez-Lemus, Adam M. Weiss, Benjamin W. Rawe, Guancen Liu, Alex E. Crolais, Emma Kenna, Fabian Byléhn, Walter Alvarado, Dan Mendels, Stuart J. Rowan, Savaş Tay, Juan J. de Pablo
Publikováno v:
Molecules, Vol 28, Iss 18, p 6643 (2023)
Recently, a high-throughput screen of 1900 clinically used drugs identified masitinib, an orally bioavailable tyrosine kinase inhibitor, as a potential treatment for COVID-19. Masitinib acts as a broad-spectrum inhibitor for human coronaviruses, incl
Externí odkaz:
https://doaj.org/article/0362185ff7ff4150b4048b49c71e8690
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-8 (2021)
Understanding the mechanism of formation of solid-state spin defects underpins their future applications in quantum technologies. Here, the authors use a combination of ab initio molecular dynamics, enhanced sampling, and density functional theory to
Externí odkaz:
https://doaj.org/article/b9006e59aa644ff98a5c3dc4a8e9e32d
Publikováno v:
ACS Central Science, Vol 7, Iss 6, Pp 1019-1027 (2021)
Externí odkaz:
https://doaj.org/article/60a2ba474c6845d9ae81a58bfcde53e1
Autor:
Fabian Byléhn, Cintia A. Menéndez, Gustavo R. Perez-Lemus, Walter Alvarado, Juan J. de Pablo
Publikováno v:
ACS Central Science, Vol 7, Iss 1, Pp 164-174 (2021)
Externí odkaz:
https://doaj.org/article/7d2e720ed632477a88edb0fe9b59267a