292 citations · 2.5k across the 61 of their papers we have counts for
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Molecular Dynamics Study of Conformations of Beta-Cyclodextrin and its Eight Derivatives in Four Different Solvents
Wasinee Khuntawee, Mikko Karttunen, Jirasak Wong-ekkabut
Understanding the atomic level interactions and the resulting structural characteristics is required for developing beta-cyclodextrin (CD) derivatives for pharmaceutical and oth…
Non-conformal coarse-grained potentials for water
Tonalli Rodríguez-López, Yuriy Khalak, Mikko Karttunen
Water is a notoriously difficult substance to model both accurately and efficiently. Here, we focus on descriptions with a single coarse-grained particle per molecule using the so-…
Propulsion and controlled steering of magnetic nanohelices
Maria Michiko Alcanzare, Mikko Karttunen, Tapio Ala-Nissila
Externally controlled motion of micro and nanomotors in a fluid environment constitutes a promising tool in biosensing, targeted delivery and environmental remediation. In particul…