Washington, DC (Fall 2017)

    Symposium Title Symposium (Type, Submission Type)

• Computational Design in the Vaccine and Biologics Therapeutic Space (Invited, Oral)

  • Kerim Babaoglu & Melissa Landon

• Modeling & Measuring Protein-Ligand Kinetics & Residence Times (Invited, Oral) 

  • Wendy Cornell & Joseph Morrone

• Extending accuracy and scales with emerging computing architectures and algorithms (Invited, Oral) 

  • Gary Kedziora, Frances Hill, Yuri Alekseev

• Gradients, properties, and electron correlation, symposium in honor of Peter Pulay (Invited, Oral) 

  • So Hirata & Feng Wang

• Molecular recognition: Revealing the effects associated with receptor-ligand binding (Invited, Oral) 

  • Emil Alexov & Ray Luo

• Designing Chemical Libraries for Screening (Invited, Oral) 

  • Sourav Das & Anang Shelat

• New Directions in Conformational Sampling Methods (Invited & Contributed, Oral) 

  • Michael Feig & Jana Shen

• Computational Studies of Membranes and Membrane-bound Systems (Invited & Contributed, Oral) 

  • Jana Shen & Michael Feig

• Drug Design (Contributed, Oral)

  • Y. Jane Tseng & Melissa Landon

• Molecular Mechanics (Contributed, Oral)

  • Michael Feig

• Quantum Mechanics (Contributed, Oral)

  • A. Eugene DePrince III

• Material Science (Contributed, Oral)

  • Christine Aikens

• Computational Studies of Water (Contributed, Oral)

  • Daniel Sindhikara

• COMP Poster Session (Contributed, Poster)

  • H. Lee Woodcock

• OpenEye Outstanding Junior Faculty Award (Contributed, Poster)

  • Carlos Simmerling

• Chemical Computing Group Graduate Student Travel Awards (Contributed, Poster)

  • Karl Kirschner & Carlos Simmerling

• Wiley Computers in Chemistry Outstanding Postdoc Award (Contributed, Poster)

  • Carlos Simmerling

• NVIDIA GPU Award (Contributed, Poster)

  • Carlos Simmerling

• Emerging Technologies in Computational Chemistry (COMP webpage) (Contributed, Oral)

  • Carlos Simmerling

  • The competition is open to all.  In order to participate, you must submit a regular short ACS abstract via the ACS Program and Abstract Creation System (PACS) on the ACS web site. It is also necessary to e-mail a longer (~1000-word) abstract to the symposium organizer. The talks must be original, not repeats of talks at other ACS symposia. The long abstracts will be evaluated and those individuals selected for an oral presentation at the symposium will be notified. Applications for the Emerging Technologies Symposium that cannot be accepted for the competition will be rescheduled in one of the other COMP sessions at the meeting.