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Moving Chemistry from Bench to Market

A number of Atomwise members were selected to present at this year's national meeting. From posters, presentation talks, or panel discussions, learn more about what our members have been doing in their presentation sessions below. 

AIMS Program Collaborations

Through the AIMS Awards Program, Atomwise supports promising researchers with AI resources for small-molecule drug discovery that help advance their work. This year, a number of our research collaborations were selected to present at the ACS national meeting.

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Speaker Presentations

Brad Worley, PhD

Brad Worley, PhD
Atomwise

TITLE

Model Fine-Tuning for Enhanced Virtual High-Throughput Screening Performance

DIVISION

COMP

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Daniel Keedy, PhD

Daniel Keedy, PhD
City University of New York

TITLE

Toward Inhibition of the Dynamic Enzyme PTP1B via a New Allosteric Weak Point

DIVISION

BIOL

ATOMWISE COLLABORATOR:

Christian Laggner, PhD

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Henry van den Bedem, PhD

Henry van den Bedem, PhD
Atomwise

TITLE

Revealing Hidden Determinants of Molecular Recognition in Hit-to-Lead Optimization With Graph Convolutional Attention Mechanisms

DIVISION

CINF

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Terrence O'Brien, PhD

Terrence O'Brien, PhD
Atomwise

TITLE

Making the Transition from Academia to Industry

DIVISION

Committee of Minority Affairs

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Poster Presentations

Adrian Morrison, PhD

Adrian Morrison, PhD
Atomwise

TITLE

Efficient GPU Implementation of AutoDock Vina

DIVISION

COMP

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Adrian Stecula, PhD

Adrian Stecula, PhD
Atomwise

TITLE

Discovery of Novel Inhibitors of a Critical Brain Enzyme Using a Homology Model and a Deep Convolutional Neural Network

DIVISION

MEDI

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Jeff Warrington, PhD

Jeff Warrington, PhD
Atomwise

TITLE

Identification of Mitochondrial RNA Polymerase Inhibitors via Deep Convolutional Neural Networks: A Therapeutic Strategy for Cancer Metabolism

DIVISION

MEDI

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Kate Stafford, PhD

Kate Stafford, PhD
Atomwise

TITLE

Ligand Pose Ensembles Improve Affinity Prediction in Structure-Based Virtual Screening

DIVISION

COMP

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Steve Van Doren, PhD

Steve Van Doren, PhD
University of Missouri

TITLE

Targeting Invasion-Promoting Proteases MMP-7 and MMP-14 at Remote Exosites

DIVISION

MEDI

ATOMWISE COLLABORATORS:

Denzil Bernard, PhD & Jeff Warrington, PhD

Venkatesh Mysore, PhD

Venkatesh Mysore, PhD
Atomwise

TITLE

Billion Trawler Answer: A Scalable and Effective Machine Learning Based Solution for the Virtual High-Throughput Screening of Ultra-Large Libraries

DIVISION

COMP

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Vikki Robinson PhD

Victoria Robinson, PhD
University of Connecticut

TITLE

Combining Artificial Intelligence and High Throughputs Screening to Identify Modulators of the GTPase Activity of Prokaryotic Ribosome Binding Protein typA

DIVISION

MEDI

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.

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About AIMS

The AIMS Awards program, started in 2017, is designed to support promising researchers with resources that will help advance their work. AIMS Awards target research focused on finding solutions for complex human health conditions. To date, Atomwise has funded 5 rounds of AIMS Awards, completing over 100 collaborative projects and accepting over 775 projects into the program. Applications are accepted anytime.

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