Past Meeting | Keystone Symposia

This meeting took place in the past. Here is a list of meetings that are related:
Addressing the Challenges of Drug Discovery - Novel Targets, New Chemical Space and Emerging Approaches (2012F1)

Web Desc
Computer-Aided Drug Design joint with New Directions in Small Molecule Drug Discovery Organizer(s): Michael K. Gilson, Catherine E. Peishoff and Jeff Blaney Date: April 20 - 25, 2010 Location: Fairmont Chateau Whistler, Whistler, BC, Canada Sponsored by Johnson & Johnson Pharmaceutical Research & Development, L.L.C. Summary of Meeting: The purpose of this meeting is to stimulate progress in the methods of computer-aided drug design. This will be accomplished by bringing theory and practice into contact at a number of levels in order to highlight interesting and important practical problems waiting to be solved, and by deepening participants’ understanding of the science underlying these challenges. Scholarship Deadline: December 21 2009 Discounted Abstract Deadline: December 21 2009 Abstract Deadline: January 20 2010 Discounted Registration Deadline: February 23 2010 We gratefully acknowledge additional support for this conference from: We gratefully acknowledge additional in-kind support for this conference from those foregoing speaker expense reimbursements: Abbott Laboratories AstraZeneca Pharmaceuticals, L.P. GlaxoSmithKline Schering-Plough Research Institute Schrödinger We appreciate the organizations that provide Keystone Symposia with additional support, such as marketing and advertising: We gratefully acknowledge the generous grant for this conference provided by: National Institute of General Medical Sciences (NIGMS) Grant No. 1R13GM093403-01 We appreciate the organizations that provide Keystone Symposia with additional support, such as marketing and advertising: Click here to view more of these organizations Special thanks to the following for their support of Keystone Symposia initiatives to increase participation at this meeting by scientists from underrepresented backgrounds: Click here to view more of these organizations

Web Desc

Computer-Aided Drug Design

joint with New Directions in Small Molecule Drug Discovery

Organizer(s): Michael K. Gilson, Catherine E. Peishoff and Jeff Blaney

Date: April 20 - 25, 2010
Location: Fairmont Chateau Whistler, Whistler, BC, Canada

Sponsored by Johnson & Johnson Pharmaceutical Research & Development, L.L.C.

Summary of Meeting:

The purpose of this meeting is to stimulate progress in the methods of computer-aided drug design. This will be accomplished by bringing theory and practice into contact at a number of levels in order to highlight interesting and important practical problems waiting to be solved, and by deepening participants’ understanding of the science underlying these challenges.

Scholarship Deadline: December 21 2009

Discounted Abstract Deadline: December 21 2009

Abstract Deadline: January 20 2010

Discounted Registration Deadline: February 23 2010

We gratefully acknowledge additional support for this conference from:

We gratefully acknowledge additional in-kind support for this conference from those foregoing speaker expense reimbursements:

Abbott Laboratories

AstraZeneca Pharmaceuticals, L.P.

GlaxoSmithKline

Schering-Plough Research Institute

Schrödinger

We appreciate the organizations that provide Keystone Symposia with additional support, such as marketing and advertising:

We gratefully acknowledge the generous grant for this conference provided by:

National Institute of General Medical Sciences (NIGMS)
Grant No. 1R13GM093403-01

We appreciate the organizations that provide Keystone Symposia with additional support, such as marketing and advertising:

Click here to view more of these organizations

Special thanks to the following for their support of Keystone Symposia initiatives to increase participation at this meeting by scientists from underrepresented backgrounds:

Click here to view more of these organizations

Program


Tuesday, April 20 \| 3:00PM - 7:30PM Registration Room: Macdonald Foyer
Tuesday, April 20 \| 6:30PM - 7:30PM Refreshments Room: Macdonald Foyer
Tuesday, April 20 \| 7:30PM - 8:30PM Keynote Address (Joint) Room: Macdonald ABCD Speaker 1 of 2 * Jeff Blaney, Genentech, Inc., USA
Tuesday, April 20 \| 7:30PM - 8:30PM Keynote Address (Joint) Room: Macdonald ABCD Speaker 2 of 2 Stephen W. Fesik, Vanderbilt University School of Medicine, USA Targeting Protein-Protein Interactions Using Fragment-Based Methods and Structure-Based Design
Tuesday, April 20 \| 8:30PM - 8:45PM Orientation for New Attendees and New Investigators Room: Macdonald ABCD Keystone Symposia's Chief Scientific Officer, Dr. Andy Robertson, to lead discussion in a 'What to Expect during your Attendance' for interested delegates.
Wednesday, April 21 \| 7:00AM - 8:00AM Breakfast Room: Frontenac
Wednesday, April 21 \| 8:00AM - 11:00AM New Opportunities in Small Molecule Drug Discovery (Joint) Room: Macdonald ABCD Speaker 1 of 5 * Anna K. Mapp, University of Michigan, USA Catching Transcriptional Activators in the Act
Wednesday, April 21 \| 8:00AM - 11:00AM New Opportunities in Small Molecule Drug Discovery (Joint) Room: Macdonald ABCD Speaker 2 of 5 James A. Wells, University of California, San Francisco, USA Turning Enzymes on with Small Molecules
Wednesday, April 21 \| 8:00AM - 11:00AM New Opportunities in Small Molecule Drug Discovery (Joint) Room: Macdonald ABCD Speaker 3 of 5 Saul H. Rosenberg, Abbott Laboratories, USA Antagonists of BCL-2 Family Proteins
Wednesday, April 21 \| 8:00AM - 11:00AM New Opportunities in Small Molecule Drug Discovery (Joint) Room: Macdonald ABCD Speaker 4 of 5 Raymond Stevens, ShanghaiTech University and University of Southern California, USA Structure and Function of the G-Protein Coupled Receptor Family
Wednesday, April 21 \| 8:00AM - 11:00AM New Opportunities in Small Molecule Drug Discovery (Joint) Room: Macdonald ABCD Speaker 5 of 5 Atwood Cheung, Novartis Institutes for BioMedical Research, USA Short Talk: A Chemical Proteomics Approach to Identify Tankyrase as a Novel, Druggable Cancer Target in the WNT Signaling Pathway
Wednesday, April 21 \| 9:20AM - 9:40AM Coffee Break Room: Macdonald Foyer
Wednesday, April 21 \| 11:00AM - 11:00AM On Own for Lunch and Recreation
Wednesday, April 21 \| 11:00AM - 1:00PM Poster Setup Room: Frontenac
Wednesday, April 21 \| 1:00PM - 10:00PM Poster Viewing Room: Frontenac
Wednesday, April 21 \| 4:30PM - 5:00PM Coffee Available Room: Macdonald Foyer
Wednesday, April 21 \| 5:00PM - 7:00PM SBDD-Medchem Interface (Joint) Room: Macdonald ABCD Speaker 1 of 4 * Jeff Blaney, Genentech, Inc., USA Unexpected Structure-Based Design Failures and Successes from Fragment Hits
Wednesday, April 21 \| 5:00PM - 7:00PM SBDD-Medchem Interface (Joint) Room: Macdonald ABCD Speaker 2 of 4 Arun K. Ghosh, Purdue University, USA Structure-Based Design of Aspartic Acid Protease Inhibitors
Wednesday, April 21 \| 5:00PM - 7:00PM SBDD-Medchem Interface (Joint) Room: Macdonald ABCD Speaker 3 of 4 Andrew W. Stamford, Schering-Plough Research Institute, USA Structure-Based Design of BACE Inhibitors
Wednesday, April 21 \| 5:00PM - 7:00PM SBDD-Medchem Interface (Joint) Room: Macdonald ABCD Speaker 4 of 4 Fabian Buller, Neurimmune AG, Switzerland Short Talk: Small-Molecule Ligand Discovery by High-Throughput Sequencing
Wednesday, April 21 \| 7:00PM - 8:00PM Social Hour with Lite Bites Room: Frontenac
Wednesday, April 21 \| 7:30PM - 10:00PM Poster Session 1 Room: Frontenac
Thursday, April 22 \| 7:00AM - 8:00AM Breakfast Room: Frontenac
Thursday, April 22 \| 8:00AM - 11:15AM Emerging Computational Methods for SBDD Room: Macdonald AB Speaker 1 of 6 Jens Meiler, Vanderbilt University, USA Merging Ligand- and Structure-Guided Therapeutic Development
Thursday, April 22 \| 8:00AM - 11:15AM Emerging Computational Methods for SBDD Room: Macdonald AB Speaker 2 of 6 Leslie A. Kuhn, Michigan State University, USA Identifying the Right Ligand by Binding Site Comparison
Thursday, April 22 \| 8:00AM - 11:15AM Emerging Computational Methods for SBDD Room: Macdonald AB Speaker 3 of 6 Woody Sherman, Silicon Therapeutics, USA Relative Binding Free Energy Calculations via FEP: Progress and Challenges
Thursday, April 22 \| 8:00AM - 11:15AM Emerging Computational Methods for SBDD Room: Macdonald AB Speaker 4 of 6 Stanley Watowich, University of Texas Medical Branch, USA Short Talk: Large-Scale Perturbation-based Free Energy of Binding Calculations to Identify Dengue Inhibitors and their Key Thermodynamic Components
Thursday, April 22 \| 8:00AM - 11:15AM Emerging Computational Methods for SBDD Room: Macdonald AB Speaker 5 of 6 * Kenneth A. Dill, Stony Brook University, USA The SEA Water Approach to Modeling Solvation
Thursday, April 22 \| 8:00AM - 11:15AM Emerging Computational Methods for SBDD Room: Macdonald AB Speaker 6 of 6 Hetunandan Kamichetty, Carnegie Mellon University, USA Short Talk: Incorporating Configurational Entropy into Binding Free Energy Calculations via Statistical Inference
Thursday, April 22 \| 8:00AM - 11:00AM Enabling Technologies for New Lead Discovery This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 1 of 6 * George Hartman, Novira Therapeutics, USA
Thursday, April 22 \| 8:00AM - 11:00AM Enabling Technologies for New Lead Discovery This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 2 of 6 Miles Congreve, Heptares Therapeutics Ltd, UK Fragment and Biophysical Screening Approaches to GPCR Drug Discovery
Thursday, April 22 \| 8:00AM - 11:00AM Enabling Technologies for New Lead Discovery This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 3 of 6 Thomas Franch, Nuevolution A/S, Denmark Fragment Based Lead Discovery using Millions of Screening Compounds
Thursday, April 22 \| 8:00AM - 11:00AM Enabling Technologies for New Lead Discovery This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 4 of 6 Thorsten Naumann, Sanofi-Aventis Deutschland GmbH, Germany Current and Future Aspects of Lead Finding for Kinase Inhibitors
Thursday, April 22 \| 8:00AM - 11:00AM Enabling Technologies for New Lead Discovery This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 5 of 6 Gregg Siegal, ZoBio, Netherlands Short Talk: Into the Great Unknown: Fragment Based Drug Discovery on Membrane Proteins
Thursday, April 22 \| 8:00AM - 11:00AM Enabling Technologies for New Lead Discovery This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 6 of 6 Erin E. Carlson, Indiana University, USA Short Talk: Innovative Technologies for Natural Products Discovery
Thursday, April 22 \| 9:20AM - 9:40AM Coffee Break Room: Macdonald Foyer
Thursday, April 22 \| 11:15AM - 11:15AM On Own for Lunch and Recreation
Thursday, April 22 \| 11:15AM - 1:00PM Poster Setup Room: Frontenac
Thursday, April 22 \| 1:00PM - 10:00PM Poster Viewing Room: Frontenac
Thursday, April 22 \| 4:30PM - 5:00PM Coffee Available Room: Macdonald Foyer
Thursday, April 22 \| 5:00PM - 7:00PM Confronting Reality Room: Macdonald AB Speaker 1 of 3 * Marti S. Head, GlaxoSmithKline, USA What Works Now and What Do We Need?
Thursday, April 22 \| 5:00PM - 7:00PM Confronting Reality Room: Macdonald AB Speaker 2 of 3 Anthony Nicholls, OpenEye Scientific Software, USA Validation through Blind Protein-Ligand Predictions
Thursday, April 22 \| 5:00PM - 7:00PM Confronting Reality Room: Macdonald AB Speaker 3 of 3 Heather A. Carlson, University of Michigan, Ann Arbor, USA CSAR - An NIH-Funded Community Resource for Protein-Ligand Modeling and Validation
Thursday, April 22 \| 5:00PM - 7:00PM New Approaches for the Discovery of Protein Kinase Inhibitor s This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 1 of 3 David H. Sherman, University of Michigan, USA Novel Drug Leads from Natural Products and their Derivation from Microbial and Biosynthetic Diversity
Thursday, April 22 \| 5:00PM - 7:00PM New Approaches for the Discovery of Protein Kinase Inhibitor s This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 2 of 3 David G. Hangauer, SUNY Buffalo, USA Discovery of KX2-391: A Phase II Src Signaling Inhibitor with a Second MOA
Thursday, April 22 \| 5:00PM - 7:00PM New Approaches for the Discovery of Protein Kinase Inhibitor s This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 3 of 3 * Philip Sanderson, Merck & Co., Inc., USA The Discovery and Development of Allosteric Akt Inhibitors for the Treatment of Cancer
Thursday, April 22 \| 7:00PM - 8:00PM Social Hour with Lite Bites Room: Frontenac
Thursday, April 22 \| 7:30PM - 10:00PM Poster Session 2 Room: Frontenac
Friday, April 23 \| 7:00AM - 8:00AM Breakfast Room: Frontenac
Friday, April 23 \| 8:00AM - 9:00AM Special Lecture (Joint) Speaker 1 of 1 Simon F. Campbell, UK The Future of the Pharmaceutical Industry, A Personal Perspective
Friday, April 23 \| 9:00AM - 9:30AM Coffee Break Room: Macdonald Foyer
Friday, April 23 \| 9:30AM - 12:00PM Physics of Binding - Theory and Computation Room: Macdonald AB Speaker 1 of 6 David J. Huggins, University of Cambridge, UK Short Talk: Energetic Analysis of Water Molecules In The Polo-box Domain of Polo-like Kinase 1
Friday, April 23 \| 9:30AM - 12:00PM Physics of Binding - Theory and Computation Room: Macdonald AB Speaker 2 of 6 Bruce Tidor, Massachusetts Institute of Technology, USA Electrostatic Complementarity, Affinity, and Specificity
Friday, April 23 \| 9:30AM - 12:00PM Physics of Binding - Theory and Computation Room: Macdonald AB Speaker 3 of 6 Benoit Roux, University of Chicago, USA Computations of Standard Binding Free Energies
Friday, April 23 \| 9:30AM - 12:00PM Physics of Binding - Theory and Computation Room: Macdonald AB Speaker 4 of 6 Devarajan Thirumalai, University of Maryland, USA Allostery Wiring Diagram in Enzymes and Molecular Motors
Friday, April 23 \| 9:30AM - 12:00PM Physics of Binding - Theory and Computation Room: Macdonald AB Speaker 5 of 6 Vasu Chandrasekaran, Novartis Institutes for Biomedical Research, USA Short Talk: Cryptic Adaptive Pockets: What Can We Learn from Protein Sequence and Structure Regarding New Pocket Formation?
Friday, April 23 \| 9:30AM - 12:00PM Physics of Binding - Theory and Computation Room: Macdonald AB Speaker 6 of 6 * Michael K. Gilson, University of California, San Diego, USA Configurational Entropy and Molecular Stress
Friday, April 23 \| 9:30AM - 11:30AM Discovery of New Drugs for Treatment of Hepatitis C This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 1 of 4 * Makonen Belema, Bristol-Myers Squibb, USA Hepatitis C Virus – An Overview of Progress Toward Effective Therapeutics
Friday, April 23 \| 9:30AM - 11:30AM Discovery of New Drugs for Treatment of Hepatitis C This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 2 of 4 John A. McCauley, Merck Research Laboratories, USA HCV NS3/4a Protease Inhibitors
Friday, April 23 \| 9:30AM - 11:30AM Discovery of New Drugs for Treatment of Hepatitis C This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 3 of 4 Max Cummings, Janssen R&D, USA Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
Friday, April 23 \| 9:30AM - 11:30AM Discovery of New Drugs for Treatment of Hepatitis C This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 4 of 4 Makonen Belema, Bristol-Myers Squibb, USA The Discovery of Potent HCV Inhibitors Targeting the NS5A Protein
Friday, April 23 \| 12:00PM - 12:00PM On Own for Lunch and Recreation
Friday, April 23 \| 4:30PM - 5:00PM Coffee Available Room: Macdonald Foyer
Friday, April 23 \| 5:00PM - 7:00PM Physics of Binding - Experiment Room: Macdonald AB Speaker 1 of 3 * Stephen F. Martin, University of Texas, USA Correlating Structure and Energetics in Protein-Ligand Interactions: Paradigms and Paradoxes
Friday, April 23 \| 5:00PM - 7:00PM Physics of Binding - Experiment Room: Macdonald AB Speaker 2 of 3 Charalampos Babis Kalodimos, St. Jude Children's Research Hospital, USA Dynamic Activation of Protein Function
Friday, April 23 \| 5:00PM - 7:00PM Physics of Binding - Experiment Room: Macdonald AB Speaker 3 of 3 Demetri T. Moustakas, Alkermes, USA The Role of Surface Water and the Hydrophobic Effect in Protein-Ligand Binding
Friday, April 23 \| 5:00PM - 7:00PM Late-Breaking Stories of Application of Structure-Based Desi gn to Discovery of Drug Candidates This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 1 of 5 * William J. Greenlee, Schering-Plough Research Institute, USA
Friday, April 23 \| 5:00PM - 7:00PM Late-Breaking Stories of Application of Structure-Based Desi gn to Discovery of Drug Candidates This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 2 of 5 Kimberly Anne Burkhard, University of Maryland Baltimore, USA Short Talk: Identification of Small Molecules that Target ERK2 Docking Sites and are Selective Substrate Inhibitors
Friday, April 23 \| 5:00PM - 7:00PM Late-Breaking Stories of Application of Structure-Based Desi gn to Discovery of Drug Candidates This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 3 of 5 Pooja Sharma, Monash University, Australia Short Talk: Structural Insights into Protein-Ligand Interactions of First Generation Small Molecule Inhibitors of Escherichia coli DsbA: An Application of Structure Assisted Fragment based Lead Generation
Friday, April 23 \| 5:00PM - 7:00PM Late-Breaking Stories of Application of Structure-Based Desi gn to Discovery of Drug Candidates This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 4 of 5 Eric Martin, Novartis, USA Short Talk: Protein Family-Based Molding with 2D Profile-Qsar and 3D Surrogate AutoShim Ensemble Docking
Friday, April 23 \| 5:00PM - 7:00PM Late-Breaking Stories of Application of Structure-Based Desi gn to Discovery of Drug Candidates This session is from Small Molecule Drug Discovery Room: Macdonald CD Speaker 5 of 5 Zhengrong Zhu, Merck, USA Short Talk: Confronting Reality: When Millions of Compounds are not Enough
Friday, April 23 \| 7:00PM - 8:00PM Social Hour with Lite Bites Room: Frontenac
Saturday, April 24 \| 7:00AM - 8:00AM Breakfast Room: Frontenac
Saturday, April 24 \| 8:00AM - 11:00AM Candidate Attrition in the Pharmaceutical Industry (Joint) Room: Macdonald ABCD Speaker 1 of 5 * Catherine E. Peishoff, GlaxoSmithKline Pharmaceuticals, USA
Saturday, April 24 \| 8:00AM - 11:00AM Candidate Attrition in the Pharmaceutical Industry (Joint) Room: Macdonald ABCD Speaker 2 of 5 * Paul D. Leeson, GlaxoSmithKline, UK Overview: What Have We Learned about Attrition?
Saturday, April 24 \| 8:00AM - 11:00AM Candidate Attrition in the Pharmaceutical Industry (Joint) Room: Macdonald ABCD Speaker 3 of 5 Neil Weir, UCB Pharma S.A., Belgium Can Validated Targets for Biologicals Inform Small Molecule Discovery; Learning from both Approaches
Saturday, April 24 \| 8:00AM - 11:00AM Candidate Attrition in the Pharmaceutical Industry (Joint) Room: Macdonald ABCD Speaker 4 of 5 Martin G. Stahl, F. Hofmann-La Roche Ltd, Switzerland Small Molecule Conformational Preferences in Ligand Design
Saturday, April 24 \| 8:00AM - 11:00AM Candidate Attrition in the Pharmaceutical Industry (Joint) Room: Macdonald ABCD Speaker 5 of 5 William C. Pomerantz, University of Michigan, USA Short Talk: Probing the Function and Mechanism of Small Molecule Artificial Transcriptional Regulators
Saturday, April 24 \| 9:20AM - 9:40AM Coffee Break Room: Macdonald Foyer
Saturday, April 24 \| 11:00AM - 11:00AM On Own for Lunch and Recreation
Saturday, April 24 \| 4:30PM - 5:00PM Coffee Available Room: Macdonald Foyer
Saturday, April 24 \| 5:00PM - 7:00PM Small Molecules: Modeling and Properties (Joint) Room: Macdonald ABCD Speaker 1 of 4 * William J. Greenlee, Schering-Plough Research Institute, USA
Saturday, April 24 \| 5:00PM - 7:00PM Small Molecules: Modeling and Properties (Joint) Room: Macdonald ABCD Speaker 2 of 4 Ruth M. Lightfoot-Dunn, Amgen Inc., USA Causes and Remedies for Candidate Attrition
Saturday, April 24 \| 5:00PM - 7:00PM Small Molecules: Modeling and Properties (Joint) Room: Macdonald ABCD Speaker 3 of 4 Marc K. Hellerstein, University of California, Berkeley, USA Systems Biology: The Full Consequences of Hitting my Target
Saturday, April 24 \| 5:00PM - 7:00PM Small Molecules: Modeling and Properties (Joint) Room: Macdonald ABCD Speaker 4 of 4 * Gregory L. Verdine, Harvard University, USA Drugging Oncogenic Transcription Factors
Saturday, April 24 \| 7:30PM - 8:30PM Social Hour with Lite Bites Room: Frontenac
Saturday, April 24 \| 8:00PM - 11:00PM Entertainment Room: Frontenac
Saturday, April 24 \| 8:00PM - 11:00PM Cash Bar Room: Frontenac
Sunday, April 25 \| 10:25AM - 10:25AM Departure *Session Chair.