Région de SAN DIEGO

 24 juil. 2025  Sheraton La Jolla Hotel   Petites molécules Peptides

08:30 à 09:00
Welcome Refreshments
09:00 à 12:00
Advanced Structure-Based Drug Design

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

12:00 à 13:30
Lunch
13:30 à 16:30
Peptide Modeling, Conformational Searching and Docking

Structure preparation / Non-natural amino acids / Protein Design / Conformational searching / Distance restraints / Peptide-Protein docking / Protein-Ligand Interaction Fingerprints (PLIFs)

16:30 à 17:30
Social Hour

3299 Holiday Court, La Jolla, CA, 92037, États-Unis

 CARTE


WASHINGTON

 19 août 2025  Walter E. Washington Convention Center   Petites molécules

15:30 à 17:00
3D Structure-based Drug Design and Virtual Screening

Protein-ligand interactions / Ligand optimization / Protein-ligand docking / Pharmacophore modeling / Template-based docking / High-throughput screening / Scaffold replacement / R-group exploration / Bioisosteric transformations / Ligand properties

801 Allen Y. Lew Place, NW, Washington, DC, 20001, États-Unis

 CARTE

 Please note that registration for the ACS Fall 2025 Meeting is required to have access to the workshop. The workshop will be held in Room 140A.


Région de SAN FRANCISCO

 10 sept. 2025  Embassy Suites South San Francisco   Petites molécules

08:30 à 09:00
Welcome Refreshments
09:00 à 12:00
Generating and Prioritizing Novel Design Ideas using Docking and Fragments-based Optimization

Protein-ligand interactions / Protein-ligand docking / Pharmacophore modeling / Template-based docking / Scaffold replacement / R-group exploration / Bioisosteric transformations / Ligand properties / PLIFs

12:00 à 13:30
Lunch
13:30 à 16:30
Interactive SAR and MMP Analysis & Combinatorial Library Design

MOEsaic / Matched Molecular Pairs / R-group analysis / Similarity and substructure searching / Multi-parameter optimization / Free-Wilson analysis / Combinatorial Library Enumeration / Multi-component reactions sketch / Reagent catalogs filtering

16:30 à 17:30
Social Hour

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

 CARTE


Région de SAN FRANCISCO

 11 sept. 2025  Embassy Suites South San Francisco   Agents Biologiques Peptides

08:30 à 09:00
Welcome Refreshments
09:00 à 12:00
Peptide Modeling, Conformational Searching and Docking

Structure preparation / Non-natural amino acids / Protein Design / Conformational searching / Distance restraints / Peptide-Protein docking / Protein-Ligand Interaction Fingerprints (PLIFs)

12:00 à 13:30
Lunch
13:30 à 16:30
Biologics: Protein Alignments, Modeling and Docking

Alignments and superposition / Loop and linker modeling / Protein-Protein docking / Protein-Ligand Interaction Fingerprints (PLIFs) / Epitope analysis / Homology modeling / Solubility analysis / QSAR modeling / 2D hot spot mapping

16:30 à 17:30
Social Hour

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

 CARTE


Région de SAN DIEGO

 01 oct. 2025  Sheraton La Jolla Hotel   Petites molécules

08:30 à 09:00
Welcome Refreshments
09:00 à 12:00
Generating and Prioritizing Novel Design Ideas using Docking and Fragments-based Optimization

Protein-ligand interactions / Protein-ligand docking / Pharmacophore modeling / Template-based docking / Scaffold replacement / R-group exploration / Bioisosteric transformations / Ligand properties / PLIFs

12:00 à 13:30
Lunch
13:30 à 16:30
Interactive SAR and MMP Analysis & Combinatorial Library Design

MOEsaic / Matched Molecular Pairs / R-group analysis / Similarity and substructure searching / Multi-parameter optimization / Free-Wilson analysis / Combinatorial Library Enumeration / Multi-component reactions sketch / Reagent catalogs filtering

16:30 à 17:30
Social Hour

3299 Holiday Court, La Jolla, CA, 92037, États-Unis

 CARTE


Région de SAN DIEGO

 02 oct. 2025  Sheraton La Jolla Hotel   Agents Biologiques

08:30 à 09:00
Welcome Refreshments
09:00 à 12:00
Antibody Modeling and Protein Engineering

Protein Engineering / Protein Properties / Protein Contacts / Developability / Molecular surfaces / Hot spot analysis / Antibody modeling

12:00 à 13:30
Lunch
13:30 à 16:30
Biologics: Protein Alignments, Modeling and Docking

Alignments and superposition / Loop and linker modeling / Protein-Protein docking / Protein-Ligand Interaction Fingerprints (PLIFs) / Epitope analysis / Homology modeling / Solubility analysis / QSAR modeling / 2D hot spot mapping

16:30 à 17:30
Social Hour

3299 Holiday Court, La Jolla, CA, 92037, États-Unis

 CARTE


Région de BOSTON

 05 nov. 2025  Le Meridien Boston Cambridge   Petites molécules

08:30 à 09:00
Welcome Refreshments
09:00 à 12:00
Generating and Prioritizing Novel Design Ideas using Docking and Fragments-based Optimization

Protein-ligand interactions / Protein-ligand docking / Pharmacophore modeling / Template-based docking / Scaffold replacement / R-group exploration / Bioisosteric transformations / Ligand properties / PLIFs

12:00 à 13:30
Lunch
13:30 à 16:30
Organizing, Searching, and Analyzing Macromolecular Data: PSILO and MOE-Project

PSILO / Central macromolecular repository / 3D Query searching / Pocket similarity / MOE-project / Project search / Organizing and centralizing project data / Protein family modeling

16:30 à 17:30
Social Hour

20 Sidney Street, Cambridge, MA, 02139, États-Unis

 CARTE


Région de BOSTON

 06 nov. 2025  Le Meridien Boston Cambridge   Agents Biologiques Peptides

08:30 à 09:00
Welcome Refreshments
09:00 à 12:00
Peptide Modeling, Conformational Searching and Docking

Structure preparation / Non-natural amino acids / Protein Design / Conformational searching / Distance restraints / Peptide-Protein docking / Protein-Ligand Interaction Fingerprints (PLIFs)

12:00 à 13:30
Lunch
13:30 à 16:30
Biologics: Protein Alignments, Modeling and Docking

Alignments and superposition / Loop and linker modeling / Protein-Protein docking / Protein-Ligand Interaction Fingerprints (PLIFs) / Epitope analysis / Homology modeling / Solubility analysis / QSAR modeling / 2D hot spot mapping

16:30 à 17:30
Social Hour

20 Sidney Street, Cambridge, MA, 02139, États-Unis

 CARTE