Publications

1865 results for Impact Science

Active site sequence representation of human kinases outperforms full sequence for affinity prediction and inhibitor generation: 3D effects in a 1D model
- - Jannis Born
  - Tien Huynh
  - et al.
- 2022
- ACS Spring 2022
Simulating supercritical carbon dioxide flow and trapping in microscopic rock pore networks
- - Mathias Steiner
  - Jaione Tirapu Azpiroz
  - et al.
- 2022
- APS March Meeting 2022
The role of partial charges in data-driven analytics of gas adsorption simulations
- - Binquan Luan
  - Rodrigo Neumann Barros Ferreira
  - et al.
- 2022
- APS March Meeting 2022
Examining the interplay between face mask usage, asymptomatic transmission, and social distancing on the spread of COVID19
- - Benjamin Catching
  - Sara Capponi
  - et al.
- 2022
- APS March Meeting 2022
Advancing Scientific Discovery for Global Sustainable Development
- - Solomon Assefa
- 2022
- APS March Meeting 2022
Computational Design and Validation of Polymer Membranes with high CO2 Permeability
- - Hsianghan Hsu
  - Ronaldo Giro
  - et al.
- 2022
- APS March Meeting 2022
Evolution of Covid-like viruses under the influence of therapeutics
- - Pancy Lwin
  - Moumita Das
  - et al.
- 2022
- APS March Meeting 2022
AI-driven predictions of binding trends of SARS-CoV-2 variants from atomistic simulations
- - Sara Capponi
- 2022
- APS March Meeting 2022
Miniaturized Biosensors for Healthcare
- - Sufi Zafar
- 2022
- APS March Meeting 2022
Prediction of CO2 Adsorption in Nano-Pores with Graph Neural Networks
- - GUOJING CONG
  - Anshul Gupta
  - et al.
- 2022
- AAAI 2022