ACS Spring 2021

Macromolecular Chemistry: The Second Century

A number of Atomwise members and research collaborators were selected to present at the ACS Spring 2021 virtual meeting. Through posters and live presentation, learn more about our members and research collaborators' work in their presentation sessions below. 

 

Speaker Presentations

Brandon Anderson, PhD

Brandon Anderson, PhD
Atomwise

TITLE

Protein-Ligand Binding Predictions with SO(3)-Equivariant Neural Networks

DIVISION

COMP

Date, time
Tuesday, April 13, 2021
2:40 pm to 3:00 pm

Jon Sorenson, PhD

Jon Sorenson, PhD
Atomwise

TITLE

Chimeric Molecules as Adversarial Training Examples for Machine Learning

DIVISION

CINF

Date, time
Thursday, April 15, 2021
6:30 pm to 6:50 pm

Michael Mysinger, PhD

Michael Mysinger, PhD
Atomwise

TITLE

Comparing Voxel-Based and Graph-Based Convolutional Neural Network Models to Quantitatively Predict Binding Affinity Globally Across Structures and Ligands

DIVISION

COMP

Date, time
Tuesday, April 13, 2021
2:20 pm to 2:40 pm

Pawel Gniewek, PhD

Pawel Gniewek, PhD
Atomwise

TITLE

Structure-Based Drug Design with Multi-Task Learning and Data Augmentation

DIVISION

COMP

Date, time
Monday, April 12, 2021
10:40 am to 11:00 am

Poster Presentations

Ha Truong, PhD


Ha Truong, PhD

Atomwise

TITLE

Acceleration of TB Drug Discovery by AI-Based Virtual Screening Against Underexploited Targets

DIVISION

MEDI

COLLABORATOR, co-presenter
Kyle Rohde, PhD

Matthew Alteen, PhD


Matthew Alteen, PhD

Simon Fraser University

TITLE

Discovery of Novel Inhibitors of O-GlcNAc Transferase Through Structure-Based Virtual Screening

DIVISION

MEDI

ATOMWISE COLLABORATOR
Josh Goldenberg, PhD

Mostafa Ahmed, PhD


Mostafa Ahmed, PhD
Atomwise

TITLE

Artificial Intelligence Aided Discovery of New Classes of Antiprotozoal Agents for Chagas Disease

DIVISION

MEDI

COLLABORATORs
Benjamin Perry, PhD
Kong Nguyen, PhD

Navid Sobhani, PhD_1


Navid Sobhani, PhD

Baylor College of Medicine

TITLE

Novel, Smaller and More Powerful CTLA4 Inhibitors For The Treatment of Solid Tumors

DIVISION
BIOL

ATOMWISE COLLABORATOR
Aram Davtyan, PhD

Tigran Abramyan, PhD


Tigran Abramyan, PhD

Atomwise

TITLE

Discovery of Inhibitors of WDR Domain-Containing Proteins using a Deep Convolutional Neural Network

DIVISION

MEDI

COLLABORATORs
Structural Genomics Consortium

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AtomNet® technology was the first application of artificial intelligence/machine learning to molecular recognition. Our award-winning AtomNet® technology has been used to find small molecule hits for more undruggable targets than any other AI drug discovery platform. 

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