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D3R 2018 Workshop Attendees
Overview

Registration is now open!

We are pleased to invite you to attend the D3R 2019 Workshop that will be held on August 22 - 23, 2019 at the Hotel La Jolla.

Registration Fees:
Faculty & Regular Attendees: $200
Students or Post docs: $100

Dates: Aug 22-23, 2019
Location: Hotel La Jolla
Hotel Block: Hotel La Jolla with group code "UCD3R"
Agenda

Wednesday, February 21 at La Jolla Shores Hotel

6 - 8 PM Reception

Thursday, February 22 at Scripps Institute of Oceanography Forum (SIO)

7:30 AM Shuttle from La Jolla Shores Hotel to SIO
7:45 AM Shuttle from La Jolla Shores Hotel to SIO
8:15 AM Breakfast on-site
Welcome and Updates
9:00 - 9:30 AM Welcome and D3R Update — Mike Gilson and Rommie Amaro, D3R, UC San Diego
9:30 - 9:40 AM NIH Perspective — Peter Lyster, NIGMS, NIH
Grand Challenge 3 Reports
9:40 - 10:15 AM Evaluation Overview of GC3 — Mill Lambert & Neysa Nevins, GSK
10:15 - 10:30 AM Break
10:30 - 10:50 AM GC3 Participant Talk 1 — Maxim Totrov, MolSoft
10:50 - 11:10 AM GC3 Participant Talk 2 — Guo-wei Wei, Michigan State
11:10 - 11:30 AM GC3 Participant Talk 3 — David Koes, University of Pittsburgh
11:30 - 11:50 AM GC3 Participant Talk 4 — Ashutosh Kumar, RIKEN
11:50 - 12:10 PM Open Discussion on Evaluation Metrics — D3R Moderator
12:10 - 1:30 PM Lunch at SIO
SAMPL6 Reports
1:30 - 1:40 PM SAMPL6 Intro — John Chodera, MSKCC
1:40 - 1:55 PM SAMPL6 host-guest intro and overview — Andrea Rizzi, MSKCC
2:00 - 2:15 PM SAMPL6 host-guest participant 1 — Michail Papadourakis, Edinburgh (video presentation)
2:15 - 2:30 PM SAMPL6 host-guest participant 2 — Marie Laury, Washington University
2:30 - 2:50 PM SAMPLing challenge overview and results — Andrea Rizzi, MSKCC
2:50 - 3:05PM Break
3:05 - 3:25 PM SAMPL6 pKa intro and overview — Mehtap Isik, MSKCC
3:25 - 3:40 PM SAMPL6 participant 1 — Samarjeet Prasad
3:40 - 3:55 PM SAMPL6 participant 2 — Qiao Zeng, NIH
3:55 - 4:10 PM SAMPL6 participant 3 —Marvin Waldman, Simulations Plus

4:15 - 6:00 PM Poster Session, Sunset (5:30PM) with Snacks and Liquid Refreshments
6:00 - 7:30 PM Dinner on the patio at SIO
7:30 PM Walk or Ride Share Back to La Jolla Shores Hotel
8:05 PM Shuttle from SIO Forum to La Jolla Shores Hotel
8:15 PM Shuttle from SIO Forum to La Jolla Shores Hotel

Friday, February 23 at Scripps Institute of Oceanography Forum (SIO)

7:30 AM Shuttle from La Jolla Shores Hotel to SIO
7:45 AM Shuttle from La Jolla Shores Hotel to SIO
8:15 AM Breakfast on-site
Perspectives and Lessons Learned from D3R and SAMPL
9:00 - 9:10 AM Introduction to Day 2 — Mike Gilson and Rommie Amaro
9:10 - 9:40 AM A Longitudinal View of the Grand Challenges — Pat Walters, Relay Therapeutics
9:40 - 10:00 AM A Longitudinal View of the SAMPL Challenges — David Mobley, UC Irvine
10:00 - 10:20 AM D3R Lessons Learned — Alexandre Bonvin, Utrecht U (Video Conference)
10:20 - 10:40 AM SAMPL Lessons Learned — Bogdan Iorga, ICSN, CNRS
10:40 - 11:00 AM Break
Workflows for CADD and Evaluation of CADD Methods
11:00 - 11:20 AM Continuous Evaluation of Ligand-Protein Predictions (CELPP) — Jeff Wagner, D3R, UC San Diego
11:20 - 11:40 AM GC and CELPP: Workflows and Insights —Xiaoqin Zou, U. Missouri
11:40 - 12:00 PM MoISSI and Workflows — John Chodera, Memorial Sloan Kettering
12:00 - 12:30 PM Open Discussion on Enabling Adoption of Workflows
12:30 - 1:30 PM Lunch at SIO
1:30 - 1:45 PM Group photo
Future Directions
1:45 - 2:00 PM Upcoming D3R and SAMPL Challenges — Mike Gilson, Rommie Amaro, David Mobley
2:00 - 3:15 PM D3R Community Feedback Discussion
Datasets—Attributes, Types, Size, Number/Challenge
Challenges and Workshops—Timing, Type, Frequency
Challenge Evaluations—Website Posting
Future funding / support of blinded prediction challenges
3:15 - 3:30 PM Wrap-up and Conclusions — Mike Gilson and Rommie Amaro
3:30 PM Workshop concludes

3:30 PM Shuttle from SIO Forum to La Jolla Shores Hotel
3:45 PM Shuttle from SIO Forum to La Jolla Shores Hotel
4:00 - 5:00 PM SAB Meeting (closed session)
5:00 - 5:30 PM SAB Session with D3R PIs
5:30 PM Shuttle from SIO Forum to La Jolla Shores Hotel
6:00 PM SAB Dinner at La Jolla Shores Hotel
Webinar

Interested in the Aug 22-23 D3R Grand Challenge 4 and SAMPL6 workshop, but are unable to attend in person?

Then, register for the free webinar and join us in real-time from wherever you are!

After registering, you will receive a confirmation email explaining how to join.

Weather Advisory

We'll be experiencing uncommon "winter" weather during the workshop. The temperature will be in the 40s/50s with a possibility of rain!

Online Registration

We'll be experiencing uncommon "winter" weather during the workshop. The temperature will be in the 40s/50s with a possibility of rain!

Accommodations

Hotel La Jolla
7955 La Jolla Shores Drive, La Jolla, CA 92037
858-551-3600

The Hotel La Jolla, our workshop hotel, has a limited amount of rooms for reservations at our group rate of $229.00 + tax.

To make a reservation by phone, please call 1-800-HILTONS and reference "UCSD D3R Workshop 2019"

Or make a reservation online at hotellajolla.com . Please be sure to enter our group code "UCD3R" when making a reservation.

Contact

If you have any questions about the workshop please contact us.

Rommie Amaro
ramaro@ucsd.edu
Michael Gilson
mgilson@ucsd.edu
Megan Murphy
mem001@ucsd.edu
Jose Saucedo
jsaucedo@ucsd.edu

Workshop Venue

The D3R Workshop will be held at Hotel La Jolla from August 22 - 23, 2019.

Hotel La Jolla
7955 La Jolla Shores Drive, La Jolla, CA 92037
Tel: 1-858-551-3600

This hotel offers amazing views from the meeting spaces on their top floors.

We have a limited amount of rooms reserved at our group rate. These are on a first-come first-serve basis. For more information and instructions on reserving, please click here

Driving Directions

Get Directions (Google Maps)

From Hwy 5 North

  • Take the 5 Freeway North
  • Take the La Jolla Pkwy exit
  • Merge onto La Jolla Pkwy
  • Turn Right onto La Jolla Shores Dr
  • On the right at 7955 La Jolla Shores Dr

From Hwy 5 South

  • Take the La Jolla Village Drive exit
  • Turn right onto La Jolla Village Drive.
  • Turn left on Torrey Pines Road
  • Turn right on La Jolla Shores Drive.
  • The hotel will be on your right at 7955 La Jolla Shores Drive.
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