Profile Details

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USD 250 /hr

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Hire Dr. Markus H.

Canada

USD 250 /hr

Senior Computational Chemist with 15+ years of experience in academic, non-profit, and industry settings.

Profile Summary

Versatile and results-driven Computational Chemist and NMR Spectroscopist with extensive experience bridging experimental and computational science in academic, startup, and enterprise settings. Analytical problem solver, combines deep expertise in biomolecular and small-molecule NMR with advanced proficiency in Computational Chemistry, Virtual Screening, and Scaffold Hopping, including OpenEye applications, cloud-based calculations in Orion, and Python-based Molecular Modeling (OpenEye toolkits, RDKit). Recognized for translating complex data into actionable insights and fostering collaboration among scientists, developers, and stakeholders across disciplines and time zones. A clear and bilingual (German/English) communicator, creative problem-solver, and lifelong learner with a passion for innovation, mentorship, and driving scientific discovery.

Subject Matter Expertise

• ★ Computational Chemistry
• ★ Hit-to-Lead & Lead Optimization
• ★ Small Molecule Drug Development
• ☆ Drug Discovery
• ☆ Drug Target Identification
• ☆ Medicinal Chemistry
• ☆ Drug Design
• ☆ Combinatorial Chemistry
• ☆ Structure-Activity Relationship (SAR) Studies
• ☆ Drug Development

Services

• Writing
• Research
• Consulting

Writing Technical Writing, Copywriting, General Proofreading & Editing

Research Technology Scouting, Scientific and Technical Research

Consulting Business Strategy Consulting, Digital Strategy Consulting, Scientific and Technical Consulting

Work Experience

Lead Scientific Liaison

OpenEye, Cadence Molecular Scientist

June 2021 - November 2025

Senior Scientist

adMare Bioinnovations/Centre for Drug Research and Development (CDRD)

January 2015 - June 2020

NMR Scientist

adMare Bioinnovations/Centre for Drug Research and Development (CDRD)

January 2008 - January 2015

Education

Dr. rer. nat. (PhD) (honors)

Technische Universität München - Germany

February 2001 - July 2004

Certifications

• N.A

  n.a.

  January 2026 - Present

Publications

JOURNAL ARTICLE

Markus Heller, Ronan Gealageas, Alice Devineau, Pauline P. L. So, Catrina M. J. Kim, Jayakumar Surendradoss, Christian Buchwalder, Verena Goebeler, Edith M. Dullaghan, David S. Grierson, et al.(2018). Development of Novel Monoamine Oxidase-B (MAO-B) Inhibitors with Reduced Blood–Brain Barrier Permeability for the Potential Management of Noncentral Nervous System (CNS) Diseases . Journal of Medicinal Chemistry. 61. (16). p. 7043--7064. American Chemical Society ({ACS})