The biophysical properties of ethanolamine plasmalogens revealed by atomistic molecular dynamics simulations

por Rog, Tomasz, Koivuniemi, Artturi
Publicado 2016

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

por Bunker, Alex, Róg, Tomasz
Publicado 2020

A Perspective: Active Role of Lipids in Neurotransmitter Dynamics

por Postila, Pekka A., Róg, Tomasz
Publicado 2019

Building Synthetic Sterols Computationally – Unlocking the Secrets of Evolution?

por Róg, Tomasz, Pöyry, Sanja, Vattulainen, Ilpo
Publicado 2015

Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design

por Róg, Tomasz, Girych, Mykhailo, Bunker, Alex
Publicado 2021

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

por Kulig, Waldemar, Pasenkiewicz-Gierula, Marta, Róg, Tomasz
Publicado 2015

Selective effect of cell membrane on synaptic neurotransmission

por Postila, Pekka A., Vattulainen, Ilpo, Róg, Tomasz
Publicado 2016

Identifying involvement of Lys251/Asp252 pair in electron transfer and associated proton transfer at the quinone reduction site of Rhodobacter capsulatus cytochrome bc(1)

por Kuleta, Patryk, Sarewicz, Marcin, Postila, Pekka, Róg, Tomasz, Osyczka, Artur
Publicado 2016

Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance

por Enkavi, Giray, Javanainen, Matti, Kulig, Waldemar, Róg, Tomasz, Vattulainen, Ilpo
Publicado 2019

Mechanistic Insight into How PEGylation Reduces the Efficacy of pH-Sensitive Liposomes from Molecular Dynamics Simulations

por Mahmoudzadeh, Mohammad, Magarkar, Aniket, Koivuniemi, Artturi, Róg, Tomasz, Bunker, Alex
Publicado 2021

Cholesterol Induces Specific Spatial and Orientational Order in Cholesterol/Phospholipid Membranes

por Martinez-Seara, Hector, Róg, Tomasz, Karttunen, Mikko, Vattulainen, Ilpo, Reigada, Ramon
Publicado 2010

How Anacetrapib Inhibits the Activity of the Cholesteryl Ester Transfer Protein? Perspective through Atomistic Simulations

por Äijänen, Tarja, Koivuniemi, Artturi, Javanainen, Matti, Rissanen, Sami, Rog, Tomasz, Vattulainen, Ilpo
Publicado 2014

The Integrin Receptor in Biologically Relevant Bilayers: Insights from Molecular Dynamics Simulations

por Kalli, Antreas C., Rog, Tomasz, Vattulainen, Ilpo, Campbell, Iain D., Sansom, Mark S. P.
Publicado 2016

Cholesterol Reduces Partitioning of Antifungal Drug Itraconazole into Lipid Bilayers

por Poojari, Chetan, Zak, Agata, Dzieciuch-Rojek, Monika, Bunker, Alex, Kepczynski, Mariusz, Róg, Tomasz
Publicado 2020

Cholesterol level affects surface charge of lipid membranes in saline solution

por Magarkar, Aniket, Dhawan, Vivek, Kallinteri, Paraskevi, Viitala, Tapani, Elmowafy, Mohammed, Róg, Tomasz, Bunker, Alex
Publicado 2014

Atomistic determinants of co-enzyme Q reduction at the Q(i)-site of the cytochrome bc(1) complex

por Postila, Pekka A., Kaszuba, Karol, Kuleta, Patryk, Vattulainen, Ilpo, Sarewicz, Marcin, Osyczka, Artur, Róg, Tomasz
Publicado 2016

doGlycans–Tools for Preparing Carbohydrate Structures for Atomistic Simulations of Glycoproteins, Glycolipids, and Carbohydrate Polymers for GROMACS

por Danne, Reinis, Poojari, Chetan, Martinez-Seara, Hector, Rissanen, Sami, Lolicato, Fabio, Róg, Tomasz, Vattulainen, Ilpo
Publicado 2017

Maturation of the SARS-CoV-2 virus is regulated by dimerization of its main protease

por Kaptan, Shreyas, Girych, Mykhailo, Enkavi, Giray, Kulig, Waldemar, Sharma, Vivek, Vuorio, Joni, Rog, Tomasz, Vattulainen, Ilpo
Publicado 2022

Mechanism of allosteric regulation of β(2)-adrenergic receptor by cholesterol

por Manna, Moutusi, Niemelä, Miia, Tynkkynen, Joona, Javanainen, Matti, Kulig, Waldemar, Müller, Daniel J, Rog, Tomasz, Vattulainen, Ilpo
Publicado 2016

Enzymatic Oxidation of Cholesterol: Properties and Functional Effects of Cholestenone in Cell Membranes

por Neuvonen, Maarit, Manna, Moutusi, Mokkila, Sini, Javanainen, Matti, Rog, Tomasz, Liu, Zheng, Bittman, Robert, Vattulainen, Ilpo, Ikonen, Elina
Publicado 2014