- Materials Science
Molecular modeling for materials science applications: Pharmaceutical formulations
Molecular and periodic quantum mechanics, all atom molecular dynamics, and coarse-grained approaches for studying active pharmaceutical ingredients and their formulations
- Materials Science
Molecular modeling for materials science applications: Homogeneous catalysis and reactivity
Molecular quantum mechanics and machine learning approaches for studying reactivity and mechanism at the molecular level
- Materials Science
Molecular modeling for materials science applications: Consumer packaged goods
All-atom molecular dynamics, coarse-grained, and machine learning approaches for studying materials integral to the formulation of CPG
- Materials Science
Molecular modeling for materials science applications: Surface chemistry
Molecular quantum mechanics, periodic quantum mechanics, and machine learning approaches for studying atomic layer processing and heterogeneous catalysis
- Materials Science
Molecular modeling for materials science applications: Polymeric materials
All-atom molecular dynamics and machine learning approaches for studying polymeric materials and their properties under various conditions
- Materials Science
Molecular modeling for materials science applications: Organic electronics
Molecular quantum mechanics, all-atom molecular dynamics, and machine learning approaches for studying challenges in OLED design and discovery
- Materials Science
Molecular modeling for materials science applications: Battery materials
Molecular and periodic quantum mechanics, all atom molecular dynamics, and machine learning for studying battery materials and their properties under various conditions
- Life Science
Introduction to molecular modeling in drug discovery
Protein preparation, ligand docking, collaborative design, and other fundamentals of small molecule drug discovery with Maestro and LiveDesign
- Life Science
Introduction to computational antibody engineering
Structure-based workflows for assessing and improving the developability, stability, affinity, and ‘humanness’ of antibody therapeutics with BioLuminate
- Life Science
Molecular modeling for materials science applications: Pharmaceutical formulations
Molecular and periodic quantum mechanics, all atom molecular dynamics, and coarse-grained approaches for studying active pharmaceutical ingredients and their formulations
- Life Science
High-throughput virtual screening for hit finding & evaluation
Computational target analysis as well as best practices for both structure-based and ligand-based virtual screening of large ligand libraries
- Life Science
Free energy calculations for drug design with FEP+
Running, analyzing, and troubleshooting relative binding FEP+ calculations for small molecule lead optimization