DIVISION OF COMPUTERS IN CHEMISTRY

 
Sunday, 28 August 2005

MORNING

8:05 AM-11:55 AM
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Cosponsored by Division of Physical Chemistry
Section A Washington DC Convention Center -- 150B
 

8:10 AM-12:00 PM
General Oral -- Quantum Chemistry
Section D Washington DC Convention Center -- 152A
 

8:20 AM-11:50 AM
Computational Exploration of Energy Landscapes: Challenges and Solutions
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 143A
 

8:30 AM-11:45 AM
Computers and Computer Algebra Systems in the Chemistry Classroom: A Tribute to Drs. Joseph Noggle and Sidney Young
Cosponsored by Division of Chemical Education
Section C Washington DC Convention Center -- 150A
 

8:55 AM-12:10 PM
Modeling Water in Protein-Ligand Interfaces
Cosponsored by Division of Physical Chemistry
Section B Washington DC Convention Center -- 151A
 

AFTERNOON

1:20 PM-4:40 PM
Computational Exploration of Energy Landscapes: Challenges and Solutions
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 143A
 

1:20 PM-5:00 PM
Structures and Properties of Small Clusters
Cosponsored by Division of Computers in Chemistry
Section F Washington DC Convention Center -- 144B
 

1:25 PM-4:45 PM
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Cosponsored by Division of Physical Chemistry
Section A Washington DC Convention Center -- 150B
 

1:30 PM-3:55 PM
Predictive Methods in Drug Discovery
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 146A
 

1:30 PM-5:05 PM
Computers and Computer Algebra Systems in the Chemistry Classroom: A Tribute to Drs. Joseph Noggle and Sidney Young
Cosponsored by Division of Chemical Education
Section C Washington DC Convention Center -- 150A
 
Translating an Academic Background Into an Industrial Career
Cosponsored by Division of Professional Relations
Section D Washington DC Convention Center -- 152A
 

2:00 PM-4:40 PM
Modeling Water in Protein-Ligand Interfaces
Cosponsored by Division of Physical Chemistry
Section B Washington DC Convention Center -- 151A
 
 
Monday, 29 August 2005

MORNING

8:00 AM-11:00 AM
Advances in Data-mining and Analysis: Informatics Perspective
Cosponsored by Division of Computers in Chemistry
Section A Washington DC Convention Center -- 151B
 

8:00 AM-12:10 PM
General Oral -- Quantum Chemistry
Section D Washington DC Convention Center -- 152A
 

8:20 AM-11:40 AM
Computational Exploration of Energy Landscapes: Challenges and Solutions
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 143A
 

8:20 AM-12:00 PM
Structures and Properties of Small Clusters
Cosponsored by Division of Computers in Chemistry
Section C Washington DC Convention Center -- 143B
 

8:25 AM-11:30 AM
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Cosponsored by Division of Physical Chemistry
Section A Washington DC Convention Center -- 150B
 

8:30 AM-12:00 PM
Chemistry in the Large: Teraflop Computing and Beyond
Section C Washington DC Convention Center -- 150A
 

8:40 AM-12:00 PM
Structure Based Design
Cosponsored by Division of Medicinal Chemistry
Section B Washington DC Convention Center -- 151A
 

8:45 AM-11:55 AM
Applied Modeling and Computations in Nuclear Science
Cosponsored by American Nuclear Society, Health Physics Society and Division of Computers in Chemistry
Washington DC Convention Center -- 203B
 

AFTERNOON

1:10 PM-5:20 PM
General Oral -- Quantum Chemistry
Section D Washington DC Convention Center -- 152A
 

1:15 PM-4:50 PM
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Cosponsored by Division of Physical Chemistry
Section A Washington DC Convention Center -- 150B
 

1:20 PM-4:40 PM
Computational Exploration of Energy Landscapes: Challenges and Solutions
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 143A
 

1:30 PM-4:30 PM
Advances in Data-mining and Analysis: Informatics Perspective
Cosponsored by Division of Computers in Chemistry
Section A Washington DC Convention Center -- 151B
 

1:30 PM-4:45 PM
Structure Based Design
Cosponsored by Division of Medicinal Chemistry
Section B Washington DC Convention Center -- 151A
 

1:30 PM-5:30 PM
Chemistry in the Large: Teraflop Computing and Beyond
Section C Washington DC Convention Center -- 150A
 

1:30 PM-6:00 PM
Applied Modeling and Computations in Nuclear Science
Cosponsored by American Nuclear Society, Health Physics Society and Division of Computers in Chemistry
Washington DC Convention Center -- 203B
 

EVENING

8:00 PM-10:00 PM
Sci-Mix
Section A Washington DC Convention Center -- Hall A
 
 
Tuesday, 30 August 2005

MORNING

8:20 AM-12:00 PM
Structures and Properties of Small Clusters
Cosponsored by Division of Computers in Chemistry
Section C Washington DC Convention Center -- 143B
 

8:25 AM-11:50 AM
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Cosponsored by Division of Physical Chemistry
Section A Washington DC Convention Center -- 150B
 

8:30 AM-12:15 PM
Chemistry in the Large: Teraflop Computing and Beyond
Section C Washington DC Convention Center -- 150A
 

8:40 AM-12:00 PM
Structure Based Design
Cosponsored by Division of Medicinal Chemistry
Section B Washington DC Convention Center -- 151A
 

8:50 AM-12:00 PM
Advances in Data Mining and Analysis: Computational Perspective
Cosponsored by Division of Chemical Information
Section D Washington DC Convention Center -- 152A
 

9:00 AM-12:00 PM
Applied Modeling and Computations in Nuclear Science
Cosponsored by American Nuclear Society, Health Physics Society and Division of Computers in Chemistry
Washington DC Convention Center -- 203B
 

AFTERNOON

1:20 PM-4:40 PM
Computational Exploration of Energy Landscapes: Challenges and Solutions
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 143A
 

1:20 PM-5:00 PM
Structures and Properties of Small Clusters
Cosponsored by Division of Computers in Chemistry
Section C Washington DC Convention Center -- 143B
 

1:25 PM-4:40 PM
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Cosponsored by Division of Physical Chemistry
Section A Washington DC Convention Center -- 150B
 

1:30 PM-4:00 PM
Advances in Data Mining and Analysis: Computational Perspective
Cosponsored by Division of Chemical Information
Section D Washington DC Convention Center -- 152A
 

1:30 PM-4:45 PM
Applied Modeling and Computations in Nuclear Science
Cosponsored by American Nuclear Society, Health Physics Society and Division of Computers in Chemistry
Washington DC Convention Center -- 203B
 
Structure Based Design
Cosponsored by Division of Medicinal Chemistry
Section B Washington DC Convention Center -- 151A
 

1:30 PM-5:35 PM
Chemistry in the Large: Teraflop Computing and Beyond
Section C Washington DC Convention Center -- 150A
 

EVENING

6:00 PM-8:00 PM
Poster Session -- Sponsored by Novartis Institutes for BioMedical Research
Section A Washington DC Convention Center -- Hall A
 
 
Wednesday, 31 August 2005

MORNING

8:10 AM-12:05 PM
Visualization and Interpretation of Computational Models
Cosponsored by Division of Medicinal Chemistry
Section B Washington DC Convention Center -- 151A
 

8:20 AM-11:40 AM
Computational Exploration of Energy Landscapes: Challenges and Solutions
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 143A
 

8:20 AM-12:20 PM
Structures and Properties of Small Clusters
Cosponsored by Division of Computers in Chemistry
Section C Washington DC Convention Center -- 143B
 

8:25 AM-11:20 AM
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Cosponsored by Division of Physical Chemistry
Section A Washington DC Convention Center -- 150B
 

9:00 AM-11:40 AM
Applied Modeling and Computations in Nuclear Science
Cosponsored by American Nuclear Society, Health Physics Society and Division of Computers in Chemistry
Washington DC Convention Center -- 203B
 

9:00 AM-12:00 PM
Emerging Technologies in Computational Chemistry
Section C Washington DC Convention Center -- 150A
 

AFTERNOON

1:15 PM-4:50 PM
Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap
Cosponsored by Division of Physical Chemistry
Section A Washington DC Convention Center -- 150B
 

1:20 PM-4:40 PM
Computational Exploration of Energy Landscapes: Challenges and Solutions
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 143A
 

1:20 PM-5:10 PM
Structures and Properties of Small Clusters
Cosponsored by Division of Computers in Chemistry
Section C Washington DC Convention Center -- 143B
 

1:20 PM-5:20 PM
General Oral -- Molecular Mechanics and Simulation
Section C Washington DC Convention Center -- 150A
 

1:30 PM-5:20 PM
Visualization and Interpretation of Computational Models
Cosponsored by Division of Medicinal Chemistry
Section B Washington DC Convention Center -- 151A
 
 
Thursday, 1 September 2005

MORNING

8:00 AM-12:00 PM
General Oral -- Molecular Mechanics and Simulation
Section B Washington DC Convention Center -- 151A
 

8:15 AM-11:55 AM
(Q)SAR in Today's Agrochemistry
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 208B
 

8:20 AM-11:40 AM
Computational Exploration of Energy Landscapes: Challenges and Solutions
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 143A
 

8:20 AM-12:20 PM
Structures and Properties of Small Clusters
Cosponsored by Division of Computers in Chemistry
Section C Washington DC Convention Center -- 143B
 

8:30 AM-12:10 PM
Computational Chemistry in the Discovery and Development of New Anti-Infective Agents
Cosponsored by Division of Medicinal Chemistry
Section A Washington DC Convention Center -- 150B
 

8:50 AM-11:40 AM
General Oral -- Drug Discovery
Section C Washington DC Convention Center -- 150A
 

9:00 AM-12:20 PM
Fragment-Based Drug Discovery
Cosponsored by Division of Computers in Chemistry
Section A Washington DC Convention Center -- Ballroom A
 

AFTERNOON

1:00 PM-5:00 PM
General Oral -- Molecular Mechanics and Simulation
Section B Washington DC Convention Center -- 151A
 

1:00 PM-5:10 PM
Computational Chemistry in the Discovery and Development of New Anti-Infective Agents
Cosponsored by Division of Medicinal Chemistry
Section A Washington DC Convention Center -- 150B
 

1:20 PM-4:30 PM
General Oral -- Drug Discovery
Section C Washington DC Convention Center -- 150A
 

1:20 PM-4:40 PM
Computational Exploration of Energy Landscapes: Challenges and Solutions
Cosponsored by Division of Computers in Chemistry
Section B Washington DC Convention Center -- 143A
 

1:20 PM-5:00 PM
Structures and Properties of Small Clusters
Cosponsored by Division of Computers in Chemistry
Section C Washington DC Convention Center -- 143B
 

The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005