Publications

26863 results for Science

Predicting Antibody Relative Binding Free Energies with MD-Derived Graph Neural Networks
- - Kevin Cheng
  - Jeff Weber
- 2026
- ACS Spring 2026
Talk
Tool-Augmented AI for Drug Discovery: An Agentic Platform for Integrated Molecule Generation and Screening
- - Leili Zhang
  - Bc Kwon
  - et al.
- 2026
- ACS Spring 2026
Talk
Assessing Chemical Foundation Models for Glycan Representation and Tasks
- - Manuel Ravasqueira
  - Joao Bettencourt-Silva
  - et al.
- 2026
- ACS Spring 2026
Poster
Cross-modal fusion of protein language models, large language models, and 3D structural models for unified protein representations
- - Ben Shapira
  - Michal Ozery-Flato
  - et al.
- 2026
- ACS Spring 2026
Poster
Designing Agentic AI Systems for Human-Guided Scientific Discovery in Computational Drug Discovery
- - Bc Kwon
  - Leili Zhang
  - et al.
- 2026
- ACS Spring 2026
Poster
Safer materials advisor: Identification and characterization of materials of concerns
- - Viviane T. Silva
  - Kristin Schmidt
  - et al.
- 2026
- ACS Spring 2026
Poster
Agentic AI for screening antibody:antigen binding affinity
- - Simona Rabinovici-Cohen
  - Jeff Weber
  - et al.
- 2026
- ACS Spring 2026
Poster
Embedding billion-scale molecule databases in generative model latent space enables efficient search for accessible surrogates
- - Tim Rumbell
  - Shruti Murarka
  - et al.
- 2026
- ACS Spring 2026
Poster
Electronic and magnetic properties of lanthanide atomic chains and nanostructures assembled atom-by-atom
- - Christopher Lutz
  - Gregory Czap
  - et al.
- 2026
- APS Global Physics Summit 2026
Conference paper
Quantum chemistry with provable convergence via randomized sample-based quantum diagonalization
- - Samuele Piccinelli
  - Francesco Tacchino
  - et al.
- 2026
- APS Global Physics Summit 2026
Talk