NEWS (publications, awards, doctoral defenses, etc.)
NEWS (publications, awards, doctoral defenses, etc.)
Embedded Files
Welcome to Oliwia Rakoczy (Erasmus exchange student from Jagiellonian University) and Gwen Huynh (HiLIFE intern)
Group photo 2024
Erik Endres, Georgios Kolypetris, Mai Jousmäki and Johannes Laukkanen join our group. Welcome to all.
Recent research highlights
Johannes Laukkanen joins our group. Welcome Johannes
Congratulations to Amina Djurabekova (travel grant), Outi Haapanen (best doctoral thesis in UH and travel grant) and Markus Rauhalahti (travel grant)
Congratulations to Outi Haapanen on best doctoral thesis award in CHEMS grad school :).
Congratulations to Outi Haapanen on her doctoral degree :)
Aino Nyman joins our group. Welcome Aino.
Thanks to PRACE for awarding Tier 0 resources.
Thanks to CSC for granting us resources in pilot grand challenge project
https://www.csc.fi/en/-/mahti-supertietokoneen-pilottikayttajat-on-valittu
Our new publication on how protons are transferred in channels of complex I
Multidisciplinary approaches, combining NMR, MD simulations and bioinformatics provide deep insights into a novel function of ubiquitin like domain.
Our new paper on cardiolipin-cytochrome oxidase interactions is now available online.
Microseconds of MD simulations provide atomic insights that are not easily achieved with experiments.
Marco Reidelbach (Free University, Berlin, Germany) started in our group as a postdoctoral researcher. Welcome Marco.
Marco Reidelbach (Free University, Berlin, Germany) started in our group as a postdoctoral researcher. Welcome Marco.
Jonathan Lasham (MChem, Leicester University, UK) started in our group as a doctoral degree student. Welcome Jonathan.
Jonathan Lasham (MChem, Leicester University, UK) started in our group as a doctoral degree student. Welcome Jonathan.
New results on complex I mechanism published in PNAS
Redox-coupled quinone dynamics in the respiratory complex I
Redox-coupled quinone dynamics in the respiratory complex I
http://www.pnas.org/content/early/2018/08/16/1805468115
Computing time from PRACE (15 million CPU hours on MareNostrum, BSC, Spain)
http://www.prace-ri.eu/16th-project-access-call-awarded-projects/#Chemical
Our recent review on mitochondrial complex I
A modeling and simulation perspective on the mechanism and function of respiratory complex I
A modeling and simulation perspective on the mechanism and function of respiratory complex I
https://www.sciencedirect.com/science/article/pii/S0005272818300732
COMPUTATIONAL CHEMISTRY DAYS 2018
Helsinki - May 28-29, 2018
Webpage:
https://www.helsinki.fi/en/conferences/computational-chemistry-days-2018
The annual Computational Chemistry Days bring together all scientists enthusiastic about computational chemistry - including also physics, bio, and pharma. Participation of experimental colleagues is strongly encouraged to foster chances for collaboration. The focus themes of this year's meeting highlighted in the choice of the speakers include
machine-learning techniques
pharmaceutical chemistry linked to industrial interests
catalysis & energy, and
computational method development overall.
Plenary Speakers:
Dr. Tristan Bereau (MPI Mainz). Machine learning methods, Markov state modelling, and application of these methods to drug-membrane interactions and peptide folding.
Dr. Roland Lindh (Uppsala). High-accuracy quantum chemistry, related method development, and their applications to important areas of research such as energy and health.
Dr. Antti Poso (Tubingen). Drug design, in particular virtual drug discovery, allowing detection of highly potent compounds from a large database based on virtual high-throughput screening methods.
Dr. Edina Rosta (King's College London). Enzyme catalysis as well as development of enhanced simulation techniques, in particular free-energy calculations and related method development.
Invited Speakers:
Additionally > 10 outstanding national experts as Invited Speakers (Jaakko Akola, Alex Bunker, Gerrit Groenhof, Karoliina Honkala, Mark Johnson, Kari Laasonen, Kai Nordlund, Esa Räsänen, Dage Sundholm, Juha Vaara, Hanna Vehkamäki).
Deadlines:
Registration: May 7
Abstracts: May 2
Registration:
https://www.helsinki.fi/en/conferences/computational-chemistry-days-2018/registration
Sponsors:
Alfred Kordelin Foundation
Gustav Komppa Fund
Doctoral Programme in Chemistry and Molecular Sciences (Univ Helsinki)
Doctoral Programme in Atmospheric Sciences (Univ Helsinki)
City of Helsinki
PCCP - Royal Society of Chemistry
GREAT meeting with negligible registration fees. Registration includes City Reception. Welcome!
With best wishes,
Outi Haapanen, Vivek Sharma, Mikael Johansson, and Ilpo Vattulainen
April 2018 - Funding awarded to our group by the Sigrid Jusélius Foundation. Thanks for the support.
Google Sites
Report abuse