DENVER

 21 août 2024  Colorado Convention Center   Petites molécules

15:30 à 17:00
Structure-Based Drug Design: Docking, Fragment Replacement, 3D Virtual Library Enumeration and Protein Family Analysis

Pharmacophore Modeling / Docking / Fragment-Based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints (PLIF)

700 14th St, Denver, CO, 80202, États-Unis

 CARTE

 Please note that registration for the ACS Fall 2024 Meeting is required to have access to the workshop. The workshop will be held in Room 109.


Région de PHILADELPHIA

 09 oct. 2024  Sheraton Valley Forge King of Prussia   Agents Biologiques Petites molécules

08:30 à 09:00
Welcome Refreshments
09:00 à 12:00
Biologics: Protein Alignments, Modeling and Docking

Protein Alignments and Superposition / Loop and Linker Modeling / Homology Modeling / Protein-Protein Docking / Epitope Analysis / Protein Properties / Protein Solubility Prediction / Protein Patches (2D and 3D) / Biologics QSAR/QSPR Modeling

12:00 à 13:00
Lunch
13:00 à 15:00
Small Molecule Docking

Protein-Ligand Interaction Analysis / Protein-Ligand Docking / Pharmacophore Modeling / High-throughput Docking / Template-Based Docking / Covalent Docking

15:00 à 15:30
Break
15:30 à 17:00
Fragment-based Design: Scaffold Hopping, Fragment Growing and Bioisosteric Replacements

Scaffold Replacement / Ligand Growing / R-group Screening / Bioisosteric Transformations / Pharmacophore Modeling

17:00 à 18:00
Social Hour

480 N Gulph Rd, King of Prussia, PA, 19406, États-Unis

 CARTE


Région de SAN FRANCISCO

 13 nov. 2024  Embassy Suites South San Francisco   Petites molécules

08:30 à 09:00
Welcome Refreshments
09:00 à 12:00
Ligand-Based Drug Design and SAR Analysis

MOEsaic / Matched Molecular Pairs (MMP) Analysis / R-Group Profiles and Analysis / Similarity and Substructure Searching / Molecular Property Analysis / Conformational Searching / Molecular Alignments / Pharmacophore Modeling and Searching

12:00 à 13:30
Lunch
13:30 à 16:30
Small Molecule Virtual Screening

Virtual Screening Compound Libraries / Molecular Descriptors / QSAR/QSPR Modeling / Molecular Fingerprints / Pharmacophore Modeling / Filtering Compound Libraries / Pharmacophore-guided Docking / Template-based Docking / De novo Hit Expansion

16:30 à 17:30
Social Hour

250 Gateway Boulevard, South San Francisco, CA, 94080, États-Unis

 CARTE