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My background includes over 25 years in the area of computational chemistry. I spent eight years at GlaxoSmithKline Pharmaceuticals doing computational chemistry in support of a number of drug discovery projects in oncology (AKT kinase), anti-infective and cardiovascular therapeutic areas. During the thirteen years at OpenEye Scientific, I worked on validation and development of new and/or enhancements to computational methods. More recently I returned to drug discovery within the biotech environment.While at GlaxoSmithKline, my tasks included using structure- and ligand-based computational methods for lead discovery and optimization, development of a new peptide mimetic method using torsion-angle molecular dynamics, data mining of HTS data for lead identification by building binary QSAR models, and the deployment of a site-wide combinatorial library docking infrastructure. The contributions I made while at GSK resulted in two granted patents, three publications (AKT kinase and urotensin II receptor antagonists), and four impact awards over the eight years I was employed.At OpenEye, I have been involved in extensive validation studies of new and improvements to existing software for ligand- and structure-based drug design. Much of this work was reported to customers through presentations, white papers, at conferences and in publications. My particular focus has been on pose prediction, binding site comparison, and ligand fitting to X-ray crystallographic data. Another area explored was validation of solvent mapping methods and and free energy calculations and using those learnings to drive de novo lead optimization of fragment leads.I joined the drug discovery team at DeepCure where we are using predictive AI technology to improve the breadth and accuracy of pre-clinical drug discovery in 2019.In 2022 I joined a chemistry platform precision oncology company as the head of computational chemistry.In 2023 I had the pleasure of joining Osmo, an AI company, working towards giving computers a sense of smell.
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Senior Director Of Computational ChemistryOsmo Apr 2023 - PresentNew York, Ny, Us -
Senior Director Of Computational ChemistryReactive Biosciences Feb 2022 - Apr 2023Research Triangle Park, North Carolina, Us -
Director Of Computational ChemistryDeepcure Oct 2019 - Feb 2022Boston, Ma, Us -
Senior Application ScientistOpeneye Scientific Software, Inc Aug 2006 - Oct 2019Santa Fe, Nm, Us-Development of an annotated and curated protein-ligand X-ray crystal structure data set (Iridium) for testing and development of protein docking algorithms.-Testing and scientific validation in conjunction with the development on a number of OpenEye technologies including docking algorithms (Fred/HYBRID/POSIT) and X-ray crystal structure ligand fitting application AFITT.-Technical presentations on OpenEye software to current and potential customers. -
InvestigatorGlaxosmithkline Pharmaceuticals Jan 2000 - Jul 2006Brentford, Middlesex, GbOrganized and managed an in-house assessment of the performance of 10 docking programs and 37 scoring functions against 7 diverse protein targets. -Structure based design, in support of project, using peptidomimetic, automated docking, Multiple Copy Simultaneous Search, and de novo design methodologies -Library design through the use of combinatorial docking -Supervision of a Principal Scientist, Postdoctoral associate and summer interns -
Principle ScientistSmithkline Beecham Pharmaceuticals Jan 1998 - Jan 2000The development of methods for reciprocal space conformational search, refinement, and pharmacophore mapping of small molecules to ligand structure.Application of QSAR methods on HTS and uHTS dataPeptidomimetic structure based design
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Associate Research ScientistYale University Jan 1997 - Jan 1998New Haven, Ct, UsThe development of new methods for structure determination using NMR data within the program CNX. -
Program In Mathematics And Molecular Biology Postdoctoral FellowYale University Jan 1995 - Jan 1997New Haven, Ct, UsThe development of methods to determine the absolute accuracy and precision of NMR structures. -
Postdoctoral AssociateHughes Medical Institute/Yale University Jan 1994 - Jan 1995The development of new structure determination procedures for NMR (2bbg.pdb, 3bbg.pdb). -Measurement of the absolute accuracy and precision of NMR structures.
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Research AssistantMassachusetts Institute Of Technology (Research Advisers Jan 1987 - Jan 1993Gregory Petsko and Robert GriffinX-ray cyrstallgraphy, solution and solid-state NMR of proteins
Greg Warren Skills
Greg Warren Education Details
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Massachusetts Institute Of TechnologyBiochemistry -
Walla Walla UniversityChemistry And Biology
Frequently Asked Questions about Greg Warren
What company does Greg Warren work for?
Greg Warren works for Osmo
What is Greg Warren's role at the current company?
Greg Warren's current role is Senior Director of Computational Chemistry.
What is Greg Warren's email address?
Greg Warren's email address is gr****@****cure.ai
What is Greg Warren's direct phone number?
Greg Warren's direct phone number is +150592*****
What schools did Greg Warren attend?
Greg Warren attended Massachusetts Institute Of Technology, Walla Walla University.
What skills is Greg Warren known for?
Greg Warren has skills like Docking, Drug Discovery, Cheminformatics, Computational Chemistry, Drug Design, Molecular Modeling, Protein Chemistry, Nmr, Chemistry, High Throughput Screening, Molecular Biology, Structural Biology.
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