Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Siva Dasetty"'
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:
Siva Dasetty, Igor Coropceanu, Joshua Portner, Jiyuan Li, Juan J. de Pablo, Dmitri Talapin, Andrew L. Ferguson
Publikováno v:
Molecular Systems Design & Engineering. 7:350-363
Coarse-grained molecular modeling and active learning enable the design of polarizable nanoparticles capable of triggered assembly and disassembly.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c23cbd2e4776a02c9fab08b105f24c3
https://doi.org/10.1039/d1me00187f
https://doi.org/10.1039/d1me00187f
Autor:
Siva Dasetty, Sapna Sarupria
Publikováno v:
The Journal of Physical Chemistry B. 125:2644-2657
Understanding peptide-surface interactions is crucial for programming self-assembly of peptides at surfaces and in realizing their applications, such as biosensors and biomimetic materials. In this study, we developed insights into the dependence of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::72de9ca3ad622e9e7af676e4aa25e344
https://doi.org/10.1021/acs.jpcb.0c10740
https://doi.org/10.1021/acs.jpcb.0c10740
Publikováno v:
Current Opinion in Chemical Engineering. 23:138-145
Interfacial systems are ubiquitous and important to myriad processes of interest such as protein-protein interactions and catalysis of reactions. Investigating interfacial systems at the molecular level presents unique challenges to both experiments
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::492e6ab1c565460ca07c7c4da6635a00
https://doi.org/10.1016/j.coche.2019.04.003
https://doi.org/10.1016/j.coche.2019.04.003
Publikováno v:
Biochemical Engineering Journal. 174:108093
While thermophilic enzymes have thermostability desired for broad industrial applications, they can lose activity at ambient temperatures far from their optimal. Engineering cold activity into thermophilic enzymes has the potential to broaden the ran
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1f7ec8beea51501466a0b9c5e18be2c
https://doi.org/10.1016/j.bej.2021.108093
https://doi.org/10.1016/j.bej.2021.108093
We compare the free energies of adsorption (∆Aads) and the structural preferences of amino acids obtained using the force fields — Amberff99SB-ILDN/TIP3P, CHARMM36/modified-TIP3P, OPLS-AA/M/TIP3P, and Amber03w/TIP4P/2005. The amino acid–graphen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::30c37eda914679034be6eb6f5fb5cf42
https://doi.org/10.26434/chemrxiv.7640489.v1
https://doi.org/10.26434/chemrxiv.7640489.v1
Autor:
Jared M. Brown, Sapna Sarupria, Wren Gregory, Ramakrishna Podila, Bishwambhar Sengupta, Siva Dasetty, Jingyi Zhu, John K. Barrows, Apparao M. Rao, Mehmet Karakaya
Publikováno v:
RSC advances. 5(100)
In any physiological media, carbon nanomaterials (CNM) strongly interact with biomolecules leading to the formation of biocorona, which subsequently dictate the physiological response and the fate of CNMs. Defects in CNMs play an important role not o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2eca5584ed83ee2d5ad71857e35052c5
https://pubmed.ncbi.nlm.nih.gov/26877870
https://pubmed.ncbi.nlm.nih.gov/26877870
Publikováno v:
Materials Research Express. 4:114008
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06ef780f15225899ded4cd93ed869344
https://doi.org/10.1088/2053-1591/aa9946
https://doi.org/10.1088/2053-1591/aa9946
Autor:
Mathew John, B.P. Prajwal, Pradeepta K. Sahoo, Nettem V. Choudary, Siva Dasetty, K. G. Ayappa, Bharat L. Newalkar
Publikováno v:
IndraStra Global.
A transient 2D axi-symmetric and lumped parameter (LP) model with constant outflow conditions have been developed to study the discharge capacity of an activated carbon bed. The predicted discharge times and variations in bed pressure and temperature
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e5cbe7ceb7cf5e78e407ecadfb1c4b3
https://igi.indrastra.com/items/show/200490
https://igi.indrastra.com/items/show/200490
Publikováno v:
Materials Research Express; Nov2017, Vol. 4 Issue 11, p1-1, 1p