| Title
|
Type
|
Submission Type |
Organizer |
Cosponsor |
Description |
| Advances in Multiscale Computational Modeling of Biomass Conversion Processes (Invited) |
Oral |
Invited |
|
|
The ChemCatBio enabling project Consortium for Computational Physics and Chemistry (CCPC-CCB) accele... |
| Advances in Multiscale Modeling (Invited) |
Oral |
Invited |
|
|
The proposed symposium with the topic of advances in multiscale modeling aims to disseminate and... |
| Chemical Computing Group Graduate Student Travel Awards |
Poster |
Contributed |
|
|
|
| COMP Poster Session |
Poster |
Contributed |
|
|
|
| Computational Studies of Water |
Oral |
Contributed |
|
|
|
| Drug Design |
Oral |
Contributed |
|
|
|
| Exploring Transition Metal Chemistry & Spectroscopy with Quantum Chemistry |
Oral |
Contributed |
|
|
Functional transition metal compounds, including molecules, clusters, nanoparticles, surfaces, and s... |
| Immersive Virtual Reality for Molecular Design (Invited) |
Oral |
Invited |
|
|
Molecular visualization at the atomic level has been possible by the use of computers for over half ... |
| Material Science |
Oral |
Contributed |
|
|
|
| Molecular Mechanics |
Oral |
Contributed |
|
|
|
| Molecular Mechanics: Conformational Dynamics of Receptors, Ion Channels & Transporters |
Oral |
Contributed |
|
|
With the arrival of exciting new experimental techniques and computing hardware, molecular dynamics ... |
| Molecular Mechanics: Molecular Simulations for Materials Design |
Oral |
Contributed |
|
|
Empirical interatomic potential has been widely used in materials design and studies. This symposium... |
| NVIDIA GPU Award |
Poster |
Contributed |
|
|
|
| OpenEye Outstanding Junior Faculty Award |
Poster |
Contributed |
|
|
|
| Protein Degradation Computational Design (Invited) |
Oral |
Invited |
|
|
Proteolysis-targeting chimera (ProTAC), as a new therapeutic modality, is an emerging strategy in dr... |
| Quantum Mechanics |
Oral |
Contributed |
|
|
|
| Recent Advances in Kinase Drug Discovery: A Joint Venture Between Medicinal, Biological & Computational Chemists (Invited) |
Oral |
Invited |
|
|
Protein kinases are involved in a wide range of human diseases and are therefore important drug targ... |
| Role of Water Phase in Molecular Biology: Importance of Water in Folding, Binding & Transport Phenomena (Invited) |
Oral |
Invited |
|
|
The function of cell is governed by various interactions and co-existence of proteins, RNAs, DNA and... |
| Sci-Mix |
Poster |
Contributed |
|
|
|
| Use of Predictive Computational ADME Tools to Enable Drug Discovery (Invited) |
Oral |
Invited |
|
|
In the course of drug discovery projects, medicinal chemists must invariably optimize ADME propertie... |
| Wiley Computers in Chemistry Outstanding Postdoc Award |
Poster |
Contributed |
|
|
|
| Women Make COMP |
Oral |
Contributed |
|
|
Women are under-represented in science, with a gender-gap particularly evident in the fundamental sc... |
