Title
Type
Submission Type
Organizer
Cosponsor
Description
Advances in Multiscale Computational Modeling of Biomass Conversion Processes
Oral
Contributed
The ChemCatBio enabling project Consortium for Computational Physics and Chemistry (CCPC-CCB) accele... Read more
Advances in Multiscale Modeling
Oral
Contributed
The proposed symposium with the topic of advances in multiscale modeling aims to disseminate and... Read more
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
Immersive Virtual Reality for Molecular Design
Oral
Contributed
Molecular visualization at the atomic level has been possible by the use of computers for over half ... Read more
Material Science
Oral
Contributed
Molecular Mechanics
Oral
Contributed
Molecular Mechanics: Conformational Dynamics of Ion Channels & Transporters
Oral
Contributed
With the arrival of exciting new experimental techniques and computing hardware, molecular dynamics ... Read more
Molecular Mechanics: Molecular Simulations for Materials Design
Oral
Contributed
Empirical interatomic potential has been widely used in materials design and studies. This symposium... Read more
NVIDIA GPU Award
Poster
Contributed
OpenEye Outstanding Junior Faculty Award
Poster
Contributed
ProTAC Computational Design
Oral
Contributed
Proteolysis-targeting chimera (ProTAC), as a new therapeutic modality, is an emerging strategy in dr... Read more
Quantum Mechanics
Oral
Contributed
Recent Advances in Kinase Drug Discovery: A Joint Venture Between Medicinal, Biological & Computational Chemists
Oral
Contributed
Protein kinases are involved in a wide range of human diseases and are therefore important drug targ... Read more
Role of Water Phase in Molecular Biology: Importance of Water in Folding, Binding & Transport Phenomena
Oral
Contributed
The function of cell is governed by various interactions and co-existence of proteins, RNAs, DNA and... Read more
Use of Predictive Computational ADME Tools to Enable Drug Discovery
Oral
Contributed
In the course of drug discovery projects, medicinal chemists must invariably optimize ADME propertie... Read more
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... Read more