Cancer immune therapy using engineered ‛tail-flipping’ nanoliposomes targeting alternatively activated macrophages

Autor: Praneeth R. Kuninty, Karin Binnemars-Postma, Ahmed Jarray, Kunal P. Pednekar, Marcel A. Heinrich, Helen J. Pijffers, Hetty ten Hoopen, Gert Storm, Peter van Hoogevest, Wouter K. den Otter, Jai Prakash

Publikováno v: Nature Communications, Vol 13, Iss 1, Pp 1-17 (2022)

Tumor-associated macrophages are mostly pro-tumorigenic, due to their re-programming by the tumor microenvironment. Here authors show that nanoliposomes, incorporating phospholipids with a flipping-tail chain, are engulfed specifically by intratumora

Externí odkaz: https://doaj.org/article/c7139cc6942449fc878247554c64ac93

Stress‐dependent macromolecular crowding in the mitochondrial matrix

Autor: Elianne P Bulthuis, Cindy E J Dieteren, Jesper Bergmans, Job Berkhout, Jori A Wagenaars, Els M A van de Westerlo, Emina Podhumljak, Mark A Hink, Laura F B Hesp, Hannah S Rosa, Afshan N Malik, Mariska Kea‐te Lindert, Peter H G M Willems, Han J G E Gardeniers, Wouter K den Otter, Merel J W Adjobo‐Hermans, Werner J H Koopman

Publikováno v: EMBO Journal, 42
EMBO Journal 42 (2023) 7
EMBO Journal, 42, 7
EMBO Journal, 42(7)

Contains fulltext : 291757.pdf (Publisher’s version ) (Open Access) Macromolecules of various sizes induce crowding of the cellular environment. This crowding impacts on biochemical reactions by increasing solvent viscosity, decreasing the water-ac

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43163eb64ddd4641532f59ef64dc0bbb
https://doi.org/10.15252/embj.2021108533

Systematic approach for wettability prediction using molecular dynamics simulations

Autor: Herman Wijshoff, Wouter K. den Otter, Ahmed Jarray, Jurriaan A. Luiken

Publikováno v: Soft matter, 16(17), 4299-4310. Royal Society of Chemistry
Soft Matter 16 (2020) 17
Soft Matter, 16(17), 4299-4310. Royal Society of Chemistry
Soft Matter, 16(17), 4299-4310

We present a fast and efficient approach to predict the wettability and spreading of liquids on polymeric substrates. First, a molecular dynamics parameterization is proposed for the calculation of the solubility parameter for 74 compounds including

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5581c366dcf070c4e7698746370fc518
https://doi.org/10.1039/d0sm00197j

Fast, flexible particle simulations — An introduction to MercuryDPM

Autor: Anthony R. Thornton, Hao Shi, Mohamad Yousef Shaheen, Paolo Rapino, Irana F.C. Denissen, Jonathan M.F. Tsang, Deepak R. Tunuguntla, Wouter K. den Otter, Lu Jing, Thomas Weinhart, João Roberto Barbosa, Sudeshna Roy, Mitchel Post, Hongyang Cheng, Nunzio Losacco, Juan E. Alvarez Naranjo, Luca Orefice, Elena Grannonio, Marnix P. van Schrojenstein Lantman

Publikováno v: Computer Physics Communications, 249
Computer physics communications, 249:107129. Elsevier

We introduce the open-source package MercuryDPM, which we have been developing over the last few years. MercuryDPM is a code for discrete particle simulations. It simulates the motion of particles by applying forces and torques that stem either from

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::53e79a5b22b770f35c75b9f70e82840a
https://doi.org/10.1016/j.cpc.2019.107129

Intrinsic Conformational Preferences and Interactions in α-Synuclein Fibrils

Autor: Wouter K. den Otter, Nico F. A. van der Vegt, Divya Nayar, Wim J. Briels, Ioana Mariuca Ilie

Publikováno v: Journal of chemical theory and computation, 14(6), 3298-3310. American Chemical Society

Amyloid formation by the intrinsically disordered α-synuclein protein is the hallmark of Parkinson's disease. We present atomistic Molecular Dynamics simulations of the core of α-synuclein using enhanced sampling techniques to describe the conforma

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62a9c04121b0a8d4f11d85ee23dfa1af
http://www.scopus.com/inward/record.url?scp=85046547942&partnerID=8YFLogxK