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ComputChem Announces Hiring of Julie Harris as Manager of Product Development

Harris’s research and computational chemistry background to help fuel ComputChem’s drug-design product development

December 16, 2021, Baltimore, MDComputChem, a technology company building nextgeneration platform solutions for in silico covalent drug design and lead optimization, today announced the hiring of Julie Harris, a physicist with experience in computational chemistry and drug design, as Manager of Product Development.

In her new role, Harris will work primarily to develop constant pH-based drug design tools and methods and related drug discovery methods.

Prior to joining the ComputChem team, Harris worked as Lead Developer of continuous constant pH molecular dynamics (CpHMD) in the Amber molecular dynamics package as a Postdoctoral Fellow with the University of Maryland School of Pharmacy.

Harris, who holds a PhD in Physics from Florida State University, also worked in postdoctoral research fellowships at Temple University and the University of Texas Medical Branch.

Most recently, Harris worked as a principal engineer with Mapware where she led the development of Mapware’s photogrammetry engine for creating 3D models from drone images.

"Julie brings a perfect blend of research, product development and commercialization to our growing team,” said Ken Malone, an Executive Officer with ComputChem. "For our company mission, the biggest thing is Julie is an experienced computational scientist interested in solving challenging scientific problems. We’re delighted to have her on our team."

About ComputChem:
ComputChem is a technology company building next-generation platform solutions for in silico covalent drug discovery design and lead optimization. ComputChem is an Early Charm Drug Design portfolio company. Learn more: Homepage

Media Contact:
Ken Berlack
ComputChem
ken.berlack@earlycharm.com

ComputChem Awarded $1,373,997 in SBIR Phase II Funding from the National Institutes of Health

SBIR award will enable ComputChem to create software for better drug design and development

November 19, 2021, Baltimore, MDComputChem, a technology company building next-generation platform solutions for in silico covalent drug design and lead optimization, today announced it has been awarded a $1,373,997 Small Business Innovation Research (SBIR) Phase II grant from the National Institutes of Health (NIH).

The NIH award, titled “Molecular Dynamics and Artificial Intelligence Based Tools to Innovate Covalent and Noncovalent Drug Design,” will enable ComputChem to commercialize its software solutions based on cutting-edge research in molecular simulations and data science, addressing unmet needs in the emerging covalent and traditional reversible drug discovery programs.

ComputChem will continue the development of its local/cloud software applications, iTitrate and iKa. iTitrate provides accurate prediction and physical rationalization of protein pKa values and targetable nucleophilic amino acid locations in proteins to assist covalent drug design.

As the first of its kind, iTitrate is based on a unique and extensively validated constant pH molecular dynamics approach and an accurate and efficient generalized Born implicit-solvent model.

In addition, ComputChem will develop and validate iKa, which is based on artificial intelligence and large databases to meet market demand for an accurate small molecule pKa predictor. Together with iTitrate, the new tools are expected to improve the accuracy and outcome of computer-aided lead discovery and optimization.

“We have impressive algorithms that have proven highly useful for drug design and development,” said Ken Malone, an executive officer with ComputChem. “This SBIR funding will enable us to integrate the algorithms into easy-to-use software for our customers while also enhancing their accuracy.”

ComputChem’s software release date has not yet been set but the company does provide calculations as a fee for service today.

About ComputChem:
ComputChem is a technology company building next-generation platform solutions for in silico covalent drug discovery design and lead optimization. ComputChem is an Early Charm Drug Design portfolio company. Learn more: Homepage

Media Contact:
Ken Berlack
ComputChem
ken.berlack@earlycharm.com

ComputChem Announces Hiring of Quynh Vo as Applications Scientist

Vo to focus on product development to accelerate ComputChem’s continued growth

November 15, 2021, Baltimore, MDComputChem, a technology company building next-generation platform solutions for in silico covalent drug discovery design and lead optimization, today announced the hiring of Quynh (Q) Vo, a chemical engineer, as Applications Scientist.

Prior to joining ComputChem, Vo was as an ORISE fellow with the U.S. Food and Drug Administration, working on a variety of projects in collaboration with the University of Maryland School of Pharmacy.

Vo’s work involves the study of how opioids interact with their molecular targets and the development of computational protocols to predict residence times using advanced molecular simulations.

Her high-profile publications in Nature Communications and JACS Au continue to have a direct impact on the fundamental understanding of how opioids work, helping to pave the way for in silico efforts to address the nation’s opioid crisis.

In her role as Applications Scientist with ComputChem, Vo will support current and new product development efforts to accelerate the company’s growth.

“Q’s solid academic and research background in chemical engineering and computational modeling will enable us to move faster in product development,” said Ken Malone, an executive officer with ComputChem. “Q will be a major part of our efforts to drive continued advances in our iTitrate technology that enables the accurate prediction of reactive amino acid sites to assist the growing need of a targeted covalent drug discovery approach.”

Vo earned a BS from Cal Poly Pomona and a PhD from the University of California, Irvine, both in Chemical Engineering. As a NSF Graduate Research fellow, her PhD thesis used molecular dynamic simulations in conjunction with experimental work to clarify the processes involved in solvent extraction systems to improve the efficiency of recycling radioactive materials from spent nuclear fuel.

Vo has authored and co-authored an array of peer-reviewed articles; served as an academic lecturer in chemical engineering courses; and has presented at numerous national and international conferences.

About ComputChem:
ComputChem is a technology company building next-generation platform solutions for in silico covalent drug discovery design and lead optimization. ComputChem is an Early Charm Drug Design portfolio company. Learn more: Homepage

Media Contact:
Ken Berlack
ComputChem
ken.berlack@earlycharm.com