Minisymposium: Biomolecular simulation in drug discovery


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Evaluation: Biomolecular Simulation HT2018
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The focus of this fall’s workshop will be: Biomolecular simulation in drug discovery; and will feature several invited talks as well as a selection of talks from submitted abstracts.
Mark your calendars and forward the information to your group members!
We look forward to seeing you in Stockholm,
The organizing committee

Programme

09:15
Registration and Coffee

 

09:50
Introduction

Organizing Committee

10:00
Drug Discovery’s Digital Chemistry Future

Jonas Boström, Astra Zeneca

10:30
Covalently modifiable sites in Abl1 for drug development of allosteric kinase inhibitors

Sinisa Bjelic, Linnaeus University

 

11:00
Coffee break
11:30
Anesthetic modulation via interfacial transmembrane sites in a pentameric ligand-gated ion channel

Reba Howard, Stockholm University

11:50
Applications of molecular modeling in late stage pharmaceutical development

Per-Ola Norrby, Astra Zeneca

12:30
Lunch

 

13:30
Modeling amyloid aggregation and its modification by pH, ions and ligands

Birgit Strodel, Forschungszentrum Juelich GmbH

14:10
Understanding the PAR2 agonist-bound state through a combined structure-based drug design and mutagenesis stud

Flavio Ballante, Uppsala University

 

14:30
Polypharmacology: The design of inhibitors for disparate drug targets

Mariama Jaiteh, Uppsala University

14:50
Coffee Break

 

15:20
Cholesterol lowering medicines as possible drug targets against Alzheimer’s Disease

Diana Khananisho, Stockholm University

15:40
OPLS3e: extending force field coverage for drug-like small molecules

Katarina Roos, Uppsala University

16:00
Getting non-traditional drugs into cells – influence of internal hydrogen bonding

Pär Mattson, Uppsala University

16:30
Mingle and Snacks

 

 

Thank you

SciLifeLab would like to direct a thank you to our partner in this event – BioExcel.