Zhen Liu
Graduate Student, Carnegie Mellon University
Appearances
- DateAugust 24, 2021Tautomerization plays a key factor in the natural biological process and drug discovery, yet it is often hard to obtain the ratio between two tautomers experimentally. Although the ratio depends on many factors, we looked for fast and robust methods to predict tautomer electronic energies…
Presenter
Graduate Student, Carnegie Mellon UniversitySpeakers
Carnegie Mellon University - Accurate 3D molecular information is a keystone for many computational programs but accessing reliable 3D conformers is still challenging. It requires enumerating and optimizing a huge isomer and conformer space, which would overwhelm any traditional computational methods…
Presenter
Graduate Student, Carnegie Mellon UniversitySpeakers
Carnegie Mellon University - Accurate 3D molecular information is a keystone for many computational programs but accessing reliable 3D conformers is still challenging. It requires enumerating and optimizing a huge isomer and conformer space, which would overwhelm any traditional computational methods…
Speakers
Carnegie Mellon UniversityGraduate Student, Carnegie Mellon University - : [COMP] Division of Computers in Chemistry
Speakers
University of Toronto Faculty of Arts and ScienceGraduate Student, Carnegie Mellon UniversityCarnegie Mellon UniversityBall State UniversityUniversity of Wisconsin-MadisonPostdoctoral Scholar, ETH ZurichProf., ETH ZurichProf., University of PerugiaMichigan State University - Accurate 3D molecular information is a keystone for many computational programs but accessing reliable 3D conformers is still challenging. It requires enumerating and optimizing a huge isomer and conformer space, which would overwhelm any traditional computational methods…
Speakers
Carnegie Mellon UniversityGraduate Student, Carnegie Mellon University - : [COMP] Division of Computers in Chemistry
Speakers
Michigan State UniversityUniversity of Toronto Faculty of Arts and ScienceGraduate Student, Carnegie Mellon UniversityCarnegie Mellon UniversityBall State UniversityUniversity of Wisconsin-MadisonPostdoctoral Scholar, ETH ZurichProf., ETH ZurichProf., University of Perugia - DateMarch 27, 2023Accurate 3D molecular information is a keystone for many computational programs but accessing reliable 3D conformers is still challenging. It requires enumerating and optimizing a huge isomer and conformer space, which would overwhelm any traditional computational methods…
Presenter
Graduate Student, Carnegie Mellon UniversitySpeakers
Carnegie Mellon University - DateMarch 18, 2024We present a novel framework for targeted molecule generation intended to assist drug design…
Speakers
Graduate Student, Carnegie Mellon UniversityPresenter
