Evaluation
Please select a valid form| The Uppsala-Stockholm Biomolecular Simulation Symposium is a one-day meeting for research groups focusing on computer simulations of biomolecular systems in the Stockholm/Uppsala area. A plenary lecture will be given by Peter Kasson, who recently joined Uppsala university from the University of Virginia, as well as presentations from PhD students and postdocs. A poster session will be organized during coffee breaks and lunch.
Registration to this event has closed! Free bus shuttle Bus transportation from/to SciLifeLab in Solna will be arranged. There are still seats available for the bus even though the registration has closed. To sign up for a seat, e-mail to erika.erkstam@scilifelab.uu.se.
Questions? If you want to participate or have any inquiries regarding the event or your registration, please contact erika.erkstam@scilifelab.uu.se. |
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Program
09:30 – 10:00 Coffee
10:00 – 12:05 Session I
10:00 – 10:40 Peter Kasson, University of Virginia and Uppsala University
“Statistical learning on molecular simulations to direct experiments”
10:40 – 10:55 Inna Ermilova. Stockholm University
“Molecular dynamics simulations of cholesterol in polyunsaturated lipid bilayers”
10:55 – 11:10 Pierre Matricon, Uppsala University
”Fragment optimization by molecular dynamics free energy calculations for GPCRs”
11:10 – 11:35 Tyler Harpole, KTH
“Biophysical Properties of voltage gating in K+ channels”
11:35 – 11:50 Nina Fischer, Uppsala University
“Simulating pH-dependent structural changes in L. polyedrum luciferase”
11:50 – 12:05 Annie Westerlund, KTH
“Ca2+-dependent Calmodulin conformational ensemble”
12:05 – 13:30 Lunch & Poster session
13:30 – 15:20 Session II
13:30 – 13:55 Laura Orellana, Stockholm University
“Trapping intermediates in transition pathways: from coarse-grained models to cancer mechanisms”
13:55 – 14:10 Yossa Hartono, Karolinska Institute
”Tautomerisation of pseudoisocytosine investigated by lambda dynamics”
14:10 – 14:25 Matus Rebic, Stockholm University
“Molecular Dynamics Study of Parallel DNA Quadruplex: Evaluation of Water and Ion Models”
14:25 – 14:40 You Xu, Karolinska Institute
“The effects of locked nucleic acid in DNA triplex formation”
14:40 – 15:05 Masoud Kazemi, Uppsala University
”One active site, two reactions”
15:05 – 15:20 Beat Anton Amrein, Uppsala University
“CADEE: Computer-Aided Directed Evolution of Enzymes”
15:20 – 15:40 Coffee & Poster session
15:40 – 17:15 Session III
15:40 – 15:55 Willem Jespers, Uppsala University
“Binding mode prediction using free energy perturbations”
15:55 – 16:20 Lars Sandberg, SciLifeLab Stockholm
”When modelling equilibrium solvation – go implicit not explicit”
16:20 – 16:35 Magnus Lundborg, SciLifeLab Stockholm
”Calculating permeability through the stratum corneum lipid matrix”
16:35 – 17:00 Lorenzo Agosta, Stockholm University
“Structural and reactivity properties of water adsorbed on fully hydrated Titanium oxide surfaces, predicted by ab-initio simulations”
17:00 – 17:15 Petter Johansson, KTH
“Molecular Contact Line Friction in Dynamic Wetting”