SAN DIEGO Area

 Jul 24, 2025  Sheraton La Jolla Hotel   Small Molecules Peptides

08:30 to 09:00
Welcome Refreshments
09:00 to 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 to 13:30
Lunch
13:30 to 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 to 17:30
Social Hour

3299 Holiday Court, La Jolla, CA, 92037, United States

 MAP


WASHINGTON

 Aug 19, 2025  Walter E. Washington Convention Center   Small Molecules

15:30 to 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, United States

 MAP

 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.


SAN FRANCISCO Area

 Sep 10, 2025  Embassy Suites South San Francisco   Small Molecules

08:30 to 09:00
Welcome Refreshments
09:00 to 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 to 13:30
Lunch
13:30 to 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 to 17:30
Social Hour

250 Gateway Boulevard, South San Francisco, CA, 94080, United States

 MAP


SAN FRANCISCO Area

 Sep 11, 2025  Embassy Suites South San Francisco   Biologics Peptides

08:30 to 09:00
Welcome Refreshments
09:00 to 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 to 13:30
Lunch
13:30 to 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 to 17:30
Social Hour

250 Gateway Boulevard, South San Francisco, CA, 94080, United States

 MAP


SAN DIEGO Area

 Oct 01, 2025  Sheraton La Jolla Hotel   Small Molecules

08:30 to 09:00
Welcome Refreshments
09:00 to 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 to 13:30
Lunch
13:30 to 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 to 17:30
Social Hour

3299 Holiday Court, La Jolla, CA, 92037, United States

 MAP


SAN DIEGO Area

 Oct 02, 2025  Sheraton La Jolla Hotel   Biologics

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

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

12:00 to 13:30
Lunch
13:30 to 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 to 17:30
Social Hour

3299 Holiday Court, La Jolla, CA, 92037, United States

 MAP


BOSTON Area

 Nov 05, 2025  Le Meridien Boston Cambridge   Small Molecules

08:30 to 09:00
Welcome Refreshments
09:00 to 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 to 13:30
Lunch
13:30 to 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 to 17:30
Social Hour

20 Sidney Street, Cambridge, MA, 02139, United States

 MAP


BOSTON Area

 Nov 06, 2025  Le Meridien Boston Cambridge   Biologics Peptides

08:30 to 09:00
Welcome Refreshments
09:00 to 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 to 13:30
Lunch
13:30 to 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 to 17:30
Social Hour

20 Sidney Street, Cambridge, MA, 02139, United States

 MAP