First Release: Electron Density Based 3D Molecular Generation and Binding Mode
Stonewise® will be presenting during the American Chemistry Society (ACS) fall meeting will taking place August 22-26.
Four presentations (2 poster presentations and 2 oral presentations) from Stonewise have been accepted by ACS. Presentations will discuss the creative use of astronomical amount of electron density data in PDB database for model training, as well as electron density based 3D molecular generation and binding mode, which are believed to be the first time in the industry. For further details, please join us in the event for discussion.
The presentations are scheduled as below:
Oral Presentation 1:
Achieving quantum mechanics level quantification of noncovalent interactions in protein-ligand complex with limited-time cost by using machine learning model （Paper ID: 3589413）
- Session: Emerging Tech
- Format: Oral – Virtual
- Date and time: 8/25/2021 5:45 PM – 6:05 PM EDT
Oral Presentation 2:
Pocket-based 3D molecule generation model powered by deep learning and molecular representations derived from experimental electron density （Paper ID: 3588580）
- Session: Emerging Tech
- Format: Oral – Virtual
- Date and time: 8/25/2021 5:45 PM – 6:05 PM EDT
Poster Presentation 1:
From target pocket to high quality drug-like molecules with favorable binding conformation: the application of a novel pocket-based 3D molecule generation model （Paper ID: 3589421）
- Session: General Poster I
- Format: Poster – Pre-record
- Date and time: 8/22/2021 7:00 PM – 9:00 PM EDT
Poster Presentation 2:
Experimental electron density fueled machine learning algorithm for NCI identification and quantification in protein-ligand interactions （Paper ID: 3584426）
- Session: ACS COMP Poster Session
- Format: Poster – Row 8 Virtual
- Date and time: 8/24/2021 7:00 PM – 9:00 PM EDT