Abraham Heifets, PhD
Atomwise CEO
Results From the World's Largest Distributed Prospective Application of Machine Learning to Small-Molecule Hit Discovery
DIVISIONComputers in Chemistry
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Brad Worley, PhD
Atomwise
Model Fine-Tuning for Enhanced Virtual High-Throughput Screening Performance
DIVISIONCOMP
Daniel Keedy, PhD
City University of New York
Toward Inhibition of the Dynamic Enzyme PTP1B via a New Allosteric Weak Point
DIVISIONBIOL
ATOMWISE COLLABORATOR:Christian Laggner, PhD
Henry van den Bedem, PhD
Atomwise
Revealing Hidden Determinants of Molecular Recognition in Hit-to-Lead Optimization With Graph Convolutional Attention Mechanisms
DIVISIONCINF
Terrence O'Brien, PhD
Atomwise
Making the Transition from Academia to Industry
DIVISIONCommittee of Minority Affairs
Adrian Morrison, PhD
Atomwise
Efficient GPU Implementation of AutoDock Vina
DIVISIONCOMP
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Adrian Stecula, PhD
Atomwise
Discovery of Novel Inhibitors of a Critical Brain Enzyme Using a Homology Model and a Deep Convolutional Neural Network
DIVISIONMEDI
Jeff Warrington, PhD
Atomwise
Identification of Mitochondrial RNA Polymerase Inhibitors via Deep Convolutional Neural Networks: A Therapeutic Strategy for Cancer Metabolism
DIVISIONMEDI
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Kate Stafford, PhD
Atomwise
Ligand Pose Ensembles Improve Affinity Prediction in Structure-Based Virtual Screening
DIVISIONCOMP
Steve Van Doren, PhD
University of Missouri
Targeting Invasion-Promoting Proteases MMP-7 and MMP-14 at Remote Exosites
DIVISIONMEDI
ATOMWISE COLLABORATORS:Denzil Bernard, PhD & Jeff Warrington, PhD
Venkatesh Mysore, PhD
Atomwise
Billion Trawler Answer: A Scalable and Effective Machine Learning Based Solution for the Virtual High-Throughput Screening of Ultra-Large Libraries
DIVISIONCOMP
Victoria Robinson, PhD
University of Connecticut
Combining Artificial Intelligence and High Throughputs Screening to Identify Modulators of the GTPase Activity of Prokaryotic Ribosome Binding Protein typA
DIVISIONMEDI
ATOMWISE COLLABORATOR:Jeff Warrington, PhD
Join our team
Our team is comprised of over 30 PhD scientists who contribute to a high-performance academic-like culture that fosters robust scientific and technical excellence. We strongly believe that data wins over opinions, and aim for as little dogma as possible in our decision making. Learn more about our team and opportunities at Atomwise.
