Day 1 | Day 2 | Download Brochure 

Computational life science modeling has emerged as an important tool from academic research to advance industrial applications which support strategic decision making throughout the protein production pipeline. High-throughput technologies are producing reliable and quantitative data that aid engineering methods to model complex biological systems. This meeting provides the opportunity for protein scientists, engineers, and chemists generating data, computer engineers and bioinformaticists modeling data, and drug developers, formulators, and bioprocessors utilizing the data models to foster discussion and drive production strategies in this dynamic research discipline.

1:00 pm Conference Registration

Featured Speakers From Protein Structure to Function

1:45 Chairperson’s Opening Remarks

1:50 High-Throughput Computational Strategies for Proteomics

Philip E. Bourne, Ph.D., Professor, Pharmacology, University of California, San Diego; Associate Director, Protein Data Bank; Editor-in-Chief, PLoS Computational Biology

This presentation explains how we employ a variety of cluster and grid computing strategies to achieve high-throughput proteomics. These strategies will be described in the context of applications that: (i)  find off-targets for existing drugs with the goal of reducing side-effects and drug repositioning; and (ii) for mapping 3-D protein fold space.

2:20 Defining the Role of Proteases and Modulating their Activity in Complex Biological Systems Using Computational Methods

Charles S. Craik, Ph.D., Professor, Pharmaceutical Chemistry and Biochemistry & Biophysics; Director, Chemistry and Chemical Biology Graduate Program, University of California, San Francisco

Methods are needed to define the role of proteases and to modulate their function. A bioinformatics method will be described that increases the coverage, accuracy and efficiency of identifying protease substrates to help “deorphan” proteases of unknown function. In addition, a computational design strategy to alter rationally the specificity of antibody-based inhibitors that inactivate challenging protease targets will be presented.

2:50 Drug & Vaccine Development from Envelope Glycoproteins to GPCRs

Mark R. Chance, Ph.D., Director, Center for Bioinformatics and Proteomics, Case Western Reserve University

Emerging structural biology tools, including modeling and docking approaches, are combined with crystallography to understand antigen-antibody tertiary epitopes and signaling processes in membrane proteins. Combining data from multiple biophysical techniques is required for advancing both small molecule and biologic drug development. We will highlight novel uses of structural mass spectrometry in determining structure of antigens useful for HIV vaccine development as well as outline novel approaches to understand on- and off-target effects of drugs in their interactions with membrane proteins.

3:20 Sponsored Presentation (Opportunity Available)

3:35 Refreshment Break, Exhibit and Poster Viewing

From Rational Design To Biotherapy

4:30 Plastic Antibodies: The Design, Synthesis, and Evaluation of Synthetic Polymer Biomacromolecular Receptors

Kenneth Shea, Ph.D., Professor, Chemistry, University of California, Irvine

General methods for the recognition of specific peptide sequences, proteins and related biological macromolecules remain a significant challenge. Such substances have important applications for separations, for use in biosensors and biomedical diagnostics and for the development of therapeutics. The talk will describe general protocols for creating synthetic macromolecular receptors for peptides and proteins using molecular imprinting.

5:00 Protein Stabilization by the Rational Design of Surface Charge-Charge Interactions

George Makhatadze, Ph.D., Professor, Biocomputation, Biology, Chemistry & Chemical Biology, Rensselaer Polytechnic Institute

Proteins and enzymes are increasingly used in biotechnology.  There are several issues that hamper their broader use, the most significant ones being low thermostability, aggregation and degradation by proteases.  This presentation will discuss in details our method for protein stabilization that uses rational design of surface charge-charge interactions.  In addition, it will give several examples providing experimental validation for this computational protein design approach.

5:30 Panel Discussion with Afternoon Speakers

Computational biology develops and uses efficient algorithms, data structures, visualization and communication tools to manage the integration of large quantities of protein data with the goal of computer modeling. Experts from this interdisciplinary field share how mathematical modeling systems are enabling biotherapeutic research.

Panelists:

Philip E. Bourne, Ph.D., Professor, Pharmacology, University of California, San Diego

Mark R. Chance, Ph.D., Director, Center for Bioinformatics and Proteomics, Case Western Reserve University

Charles S. Craik, Ph.D., Professor, Pharmaceutical Chemistry and Biochemistry & Biophysics, University of California, San Francisco

George Makhatadze, Ph.D., Professor, Biocomputation, Biology, Chemistry & Chemical Biology, Rensselaer Polytechnic Institute

Kenneth Shea, Ph.D., Professor, Chemistry, University of California, Irvine

6:00 Close of Day

Day 1 | Day 2 | Download Brochure 

Links to Companion Meetings

Protein Purification & Recovery 

Protein Data Integration and Interrogation