Mechanistic Understanding From Molecular Dynamics Simulation in Pharmaceutical Research 1: Drug Delivery

by Alex Bunker, Tomasz Róg
Published 2020-11-01

Topologies, structures and parameter files for lipid simulations in GROMACS with the OPLS-aa force field: DPPC, POPC, DOPC, PEPC, and cholesterol

by Waldemar Kulig, Marta Pasenkiewicz-Gierula, Tomasz Róg
Published 2015-12-01

Cholesterol induces specific spatial and orientational order in cholesterol/phospholipid membranes.

by Hector Martinez-Seara, Tomasz Róg, Mikko Karttunen, Ilpo Vattulainen, Ramon Reigada
Published 2010-06-01

How anacetrapib inhibits the activity of the cholesteryl ester transfer protein? Perspective through atomistic simulations.

by Tarja Äijänen, Artturi Koivuniemi, Matti Javanainen, Sami Rissanen, Tomasz Rog, Ilpo Vattulainen
Published 2014-11-01

Phase Partitioning of GM1 and Its Bodipy-Labeled Analog Determine Their Different Binding to Cholera Toxin

by Sami Rissanen, Michal Grzybek, Michal Grzybek, Adam Orłowski, Adam Orłowski, Tomasz Róg, Tomasz Róg, Oana Cramariuc, Ilya Levental, Christian Eggeling, Erdinc Sezgin, Ilpo Vattulainen, Ilpo Vattulainen, Ilpo Vattulainen
Published 2017-05-01

Effects of phospholipid unsaturation on the bilayer nonpolar region

by Tomasz Róg, Krzysztof Murzyn, Ryszard Gurbiel, Yuji Takaoka, Akihiro Kusumi, Marta Pasenkiewicz-Gierula
Published 2004-02-01

Mechanism of allosteric regulation of β2-adrenergic receptor by cholesterol

by Moutusi Manna, Miia Niemelä, Joona Tynkkynen, Matti Javanainen, Waldemar Kulig, Daniel J Müller, Tomasz Rog, Ilpo Vattulainen
Published 2016-11-01

Data including GROMACS input files for atomistic molecular dynamics simulations of mixed, asymmetric bilayers including molecular topologies, equilibrated structures, and force fie...

by Tomasz Róg, Adam Orłowski, Alicia Llorente, Tore Skotland, Tuulia Sylvänne, Dimple Kauhanen, Kim Ekroos, Kirsten Sandvig, Ilpo Vattulainen
Published 2016-06-01

Enzymatic oxidation of cholesterol: properties and functional effects of cholestenone in cell membranes.

by Maarit Neuvonen, Maarit Neuvonen, Moutusi Manna, Sini Mokkila, Matti Javanainen, Tomasz Rog, Zheng Liu, Robert Bittman, Ilpo Vattulainen, Elina Ikonen
Published 2014-01-01

Co-exposure with fullerene may strengthen health effects of organic industrial chemicals.

by Maili Lehto, Topi Karilainen, Tomasz Róg, Oana Cramariuc, Esa Vanhala, Jarkko Tornaeus, Helena Taberman, Janne Jänis, Harri Alenius, Ilpo Vattulainen, Olli Laine
Published 2014-01-01

Association of lipidome remodeling in the adipocyte membrane with acquired obesity in humans.

by Kirsi H Pietiläinen, Tomasz Róg, Tuulikki Seppänen-Laakso, Sam Virtue, Peddinti Gopalacharyulu, Jing Tang, Sergio Rodriguez-Cuenca, Arkadiusz Maciejewski, Jussi Naukkarinen, Anna-Liisa Ruskeepää, Perttu S Niemelä, Laxman Yetukuri, Chong Yew Tan, Vidya Velagapudi, Sandra Castillo, Heli Nygren, Tuulia Hyötyläinen, Aila Rissanen, Jaakko Kaprio, Hannele Yki-Järvinen, Ilpo Vattulainen, Antonio Vidal-Puig, Matej Orešič
Published 2011-06-01