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Kasper Harpsoe

Kasper Harpsøe

Ph.D. and M.Sc. Pharm.

 https://orcid.org/0000-0002-9326-9644

  • Jagtvej 162, 2100 København Ø

Personal profile

Short presentation

I have worked within computational medicinal chemistry since I started my PhD in 2003 and have extensive experience with most molecular modeling techniques.

From 2014 to 2021, I was part of the Gloriam Group (gloriamgroup.org), which has G Protein-Coupled Receptors (GPCRs) as the main research focus. My role in the group was as project manager for our activities within computatoional drug design of small molecule and peptide ligands. Most of the work were in multidisciplinary drug discovery projects in close collaboration with medicinal chemists, molecular pharmacologist, structural biologists and data scientists from both academia and industry.

In my current position as manager of the Data and Computing Facility at the department, I manage our small GPU linux cluster and provide project support for the department research groups. 

CV

Current position:

11/2021 - : Research Consultant / Data and Computing Facility Manager, Department of Drug Design and Pharmacology, Faculty of Health and Medical Scineces

Previous employments:

01/2020 - 10/2021: Senior Advisor / Senior Computational Chemist, Department of Drug Design and Pharmacology, Faculty of Health and Medical Scineces

09/2015 - 12/2019 : Academic Staff / Coputational Chemist, Department of Drug Design and Pharmacology, Faculty of Health and Medical Scineces

01/2014 - 08/2015 : Post doc, Department of Drug Design and Pharmacology, Faculty of Health and Medical Scineces

03/2012 - 12/2013: Post doc, The Novo Nordisk Foundation Center for Protein Research, Faculty of Health and Medical Scineces

11/2011 – 02/2012: Postdoc, Faculty of Pharmaceutical Sciences, University of Copenhagen

12/2007 - 06/2011: Postdoc, Faculty of Pharmaceutical Sciences, University of Copenhagen

07/2007 – 11/2007: Scientific Assistant, Faculty of Pharmaceutical Sciences, University of Copenhagen

07/2006 – 06/2007: Research Scientist (Post Doc.), Arpida A/S, Department of Structural Chemistry

05/2006 – 06/2006: Scientific Assistant, The Danish University of Pharmaceutical Sciences 

05/2003 – 04/2006: Ph.D. Student, The Danish University of Pharmaceutical Sciences (including three months traineeship at Schrödinger Inc. New York)

02/2002 – 04/2003: Clinical Research Associate, Quintiles AB

11/2001 – 01/2002: Pharmacist (temporary position), The Danish Medicines Agency, Department of Clinical Trials.

Education:

2006: Ph.D., The Danish University of Pharmaceutical Sciences
Title: Computational Studies on Allosteric Modulations of Ionotropic Glutamate Receptors
2001: Master of Science in pharmacy (Cand. Pharm.), The Royal Danish School of Pharmacy
Masters thesis title: Evaluation of MultiSelect and MultiScore - An Evaluation of New Procedures for Predicting Binding Conformation and Binding Affinity

Research expertises:

  • Structure-based design of peptide and small molecule ligands
  • Binding site identification and characterization
  • Docking and binding pose evaluation
  • Protein-ligand interactions 
  • Conformational analysis 
  • QSAR
  • Sequence analysis
  • Homology modeling
  • Molecular dynamics
  • Prediction of protein-ligand binding energy
  • Quantum Chemistry calculations

International experience:

2005 - Three month as trainee at Schrödinger.
Performed a validation project on Liaison and gained general experience with the Schrödinger molecular modeling software suite; especially with the extra options and setting available through the command line utilities.

2008 - Two weeks stay with the Carlson research group at University of Michigan.
Gained hands-on experience with setting up Molecular dynamics calculations of large protein-ligand complexes.

 

Education/Academic qualification

Computational Chemistry, PhD, Computational Studies on the Allosteric Modulation of AMPA Receptors

1 May 2003 → 30 Apr 2006

Award Date: 23 Aug 2006

Pharmaceutical sciences, MSc (Pharm), Masters thesis title: Evaluation of MultiSelect and MultiScore - An Evaluation of New Procedures for Predicting Binding Conformation and Binding Affinity

1 Sept 1995 → 11 Jul 2001

Award Date: 11 Jul 2001

Keywords

  • Faculty of Health and Medical Sciences
  • Molecular Modelling
  • Computational Chemistry
  • Peptide design
  • Structure-based ligand design
  • GPCRs
  • G protein inhibitors

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  • 3 Lecture and oral contribution