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Journal Articles
- 2023
[j12]Bart M. H. Bruininks
, Tsjerk A. Wassenaar, Ilpo Vattulainen:
Unbreaking Assemblies in Molecular Simulations with Periodic Boundaries. J. Chem. Inf. Model. 63(11): 3448-3452 (2023)- 2019
- [j11]Matti Javanainen, Giray Enkavi, Ramon Guixà-González, Waldemar Kulig, Hector Martinez-Seara, Ilya Levental, Ilpo Vattulainen:
Reduced level of docosahexaenoic acid shifts GPCR neuroreceptors to less ordered membrane regions. PLoS Comput. Biol. 15(5) (2019) - 2018
- [j10]Tatu Pantsar, Sami Rissanen, Daniel Dauch, Tuomo Laitinen, Ilpo Vattulainen, Antti Poso:
Assessment of mutation probabilities of KRAS G12 missense mutants and their long-timescale dynamics by atomistic molecular simulations and Markov state modeling. PLoS Comput. Biol. 14(9) (2018) - 2017
- [j9]Reinis Danne, Chetan S. Poojari, Hector Martinez-Seara, Sami Rissanen, Fabio Lolicato, Tomasz Róg, Ilpo Vattulainen:
doGlycans-Tools for Preparing Carbohydrate Structures for Atomistic Simulations of Glycoproteins, Glycolipids, and Carbohydrate Polymers for GROMACS. J. Chem. Inf. Model. 57(10): 2401-2406 (2017) - [j8]Joni Vuorio, Ilpo Vattulainen, Hector Martinez-Seara:
Atomistic fingerprint of hyaluronan-CD44 binding. PLoS Comput. Biol. 13(7) (2017) - [j7]Giray Enkavi, Heikki Mikkolainen, Burçin Güngör, Elina Ikonen, Ilpo Vattulainen:
Concerted regulation of npc2 binding to endosomal/lysosomal membranes by bis(monoacylglycero)phosphate and sphingomyelin. PLoS Comput. Biol. 13(10) (2017) - 2014
- [j6]Tarja Äijänen, Artturi Koivuniemi, Matti Javanainen, Sami Rissanen, Tomasz Róg, Ilpo Vattulainen:
How Anacetrapib Inhibits the Activity of the Cholesteryl Ester Transfer Protein? Perspective through Atomistic Simulations. PLoS Comput. Biol. 10(11) (2014) - 2012
- [j5]Artturi Koivuniemi, Timo Vuorela, Petri T. Kovanen, Ilpo Vattulainen, Marja T. Hyvönen:
Lipid Exchange Mechanism of the Cholesteryl Ester Transfer Protein Clarified by Atomistic and Coarse-grained Simulations. PLoS Comput. Biol. 8(1) (2012) - 2010
- [j4]Timo Vuorela, Andrea Catte, Perttu S. Niemelä, Anette Hall, Marja T. Hyvönen, Siewert J. Marrink, Mikko Karttunen, Ilpo Vattulainen:
Role of Lipids in Spheroidal High Density Lipoproteins. PLoS Comput. Biol. 6(10) (2010) - 2009
- [j3]Pär Bjelkmar, Perttu S. Niemelä, Ilpo Vattulainen, Erik Lindahl:
Conformational Changes and Slow Dynamics through Microsecond Polarized Atomistic Molecular Simulation of an Integral Kv1.2 Ion Channel. PLoS Comput. Biol. 5(2) (2009) - 2007
- [j2]Michael Patra, Marja T. Hyvönen, Emma Falck, Mohsen Sabouri-Ghomi, Ilpo Vattulainen, Mikko Karttunen:
Long-range interactions and parallel scalability in molecular simulations. Comput. Phys. Commun. 176(1): 14-22 (2007) - [j1]Perttu S. Niemelä, Samuli Ollila, Marja T. Hyvönen, Mikko Karttunen, Ilpo Vattulainen:
Assessing the Nature of Lipid Raft Membranes. PLoS Comput. Biol. 3(2) (2007)
Parts in Books or Collections
- 2004
- [p1]Martin J. Zuckermann, John H. Ipsen, Ling Miao, Ole G. Mouritsen, Morten Nielsen, James Polson, Jenifer Thewalt, Ilpo Vattulainen, Hong Zhu:
Modeling Lipid-Sterol Bilayers: Applications to Structural Evolution, Lateral Diffusion, and Rafts. Numerical Computer Methods, Part D 2004: 198-229
Coauthor Index
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