Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Dimitris G, Mintis"'
Autor:
Panagiotis D. Kolokathis, Nikolaos K. Sidiropoulos, Dimitrios Zouraris, Dimitra-Danai Varsou, Dimitris G. Mintis, Andreas Tsoumanis, Francesco Dondero, Thomas E. Exner, Haralambos Sarimveis, Evgenia Chaideftou, Martin Paparella, Fotini Nikiforou, Achilleas Karakoltzidis, Spyros Karakitsios, Dimosthenis Sarigiannis, Jesper Friis, Gerhard Goldbeck, David A. Winkler, Willie Peijnenburg, Angela Serra, Dario Greco, Georgia Melagraki, Iseult Lynch, Antreas Afantitis
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 25, Iss , Pp 256-268 (2024)
Modelling Data (MODA) reporting guidelines have been proposed for common terminology and for recording metadata for physics-based materials modelling and simulations in a CEN Workshop Agreement (CWA 17284:2018). Their purpose is similar to that of th
Externí odkaz:
https://doaj.org/article/9b06f4f4442c494a81777fdaa46ddf7c
Autor:
Dimitris G. Mintis, Nikolaos Cheimarios, Andreas Tsoumanis, Anastasios G. Papadiamantis, Nico W. van den Brink, Henk J. van Lingen, Georgia Melagraki, Iseult Lynch, Antreas Afantitis
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 25, Iss , Pp 243-255 (2024)
NanoBioAccumulate is a free-to-use web-based tool hosted on the Enalos DIAGONAL Cloud Platform (https://www.enaloscloud.novamechanics.com/diagonal/pbpk/) that provides users with the capability to model and predict the uptake and bioaccumulation of n
Externí odkaz:
https://doaj.org/article/8c12733ee428459ab2f2f662a830f672
Publikováno v:
Polymers, Vol 13, Iss 7, p 1114 (2021)
We present an atomistic molecular dynamics study of self-assembled mikto-arm stars, which resemble patchy-like particles. By increasing the number of stars in the system, we propose a systematic way of examining the mutual orientation of these fully
Externí odkaz:
https://doaj.org/article/0eb5ecc84a4d4a8ba0618a5973452dce
Autor:
Dimitris G. Mintis, Anastasia Chasapi, Konstantinos Poulas, George Lagoumintzis, Christos T. Chasapis
Publikováno v:
Molecules, Vol 25, Iss 20, p 4787 (2020)
The ubiquitin pathway required for most proteins’ targeted degradation involves three classes of enzymes: E1-activating enzyme, E2-conjugating enzyme, and E3-ligases. The human Ark2C is the single known E3 ligase that adopts an alternative, Ub-depe
Externí odkaz:
https://doaj.org/article/3ac371b201284888a60d9e868b526546
Publikováno v:
Macromolecules. 53:7618-7634
With the help of detailed atomistic simulations, we have determined the phase boundary of a complex coacervate system resulting from the complexation of two oppositely and fully charged weak polyel...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b0b2208b825dad863b3a61bba1c26254
https://doi.org/10.1021/acs.macromol.0c00728
https://doi.org/10.1021/acs.macromol.0c00728
Publikováno v:
The Journal of Physical Chemistry B. 124:6154-6169
Atomistic molecular dynamics (MD) simulations are carried out to examine the effect of molecular weight Mw (= 0.6, 0.86, 1.12, and 2.15 kDa) and pH (or equivalently, degree of ionization, α+ = 0, 50, and 100%) on the structure, state of hydration, a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fee2d993a31f96afe31b72c591925167
https://doi.org/10.1021/acs.jpcb.0c04135
https://doi.org/10.1021/acs.jpcb.0c04135
Publikováno v:
JPhys Materials, 4 (4)
In a recent contribution, we introduced a new approach for the quantitative prediction of the micellar morphology of aqueous solutions of ionic surfactants based on coarse-grained MARTINI-type simulations followed by reverse-mapped all-atom (AA) mole
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0974bb764f76311ae4631045160632f8
https://hdl.handle.net/20.500.11850/493470
https://hdl.handle.net/20.500.11850/493470
Publikováno v:
Journal of Physical Chemistry B 124 (2020)
Journal of Physical Chemistry B, 124, 240-252
Journal of Physical Chemistry B, 124(1), 240-252. AMER CHEMICAL SOC
Journal of Physical Chemistry B, 124, 240-252
Journal of Physical Chemistry B, 124(1), 240-252. AMER CHEMICAL SOC
A combined experimental and molecular dynamics (MD) study is performed to investigate the effect of polymer concentration on the zero shear rate viscosity η0 of a salt-free aqueous solution of poly(N,N-dimethylaminoethyl methacrylate) (PDMAEMA), a f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9f1fb14e19085018391c25fd7ef37f2
https://research.wur.nl/en/publications/effect-of-polymer-concentration-on-the-structure-and-dynamics-of-
https://research.wur.nl/en/publications/effect-of-polymer-concentration-on-the-structure-and-dynamics-of-
Publikováno v:
The journal of physical chemistry. B. 124(1)
A combined experimental and molecular dynamics (MD) study is performed to investigate the effect of polymer concentration on the zero shear rate viscosity η
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::6036ccb912c21f0e2f60f8b5a7fef35b
https://pubmed.ncbi.nlm.nih.gov/31820991
https://pubmed.ncbi.nlm.nih.gov/31820991