TinkerMeeting:tinkermeeting-2018: Difference between revisions
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<big>TINKER Modeling Workshop 2018</big> | <big>'''TINKER Modeling Workshop 2018'''</big> | ||
== '''Dates & location'''== | |||
== '''Dates & location''' == | |||
'''Dates: June 2-4, 2018'''(arrive on 6/1; depart 6/4 afternoon) | '''Dates: June 2-4, 2018'''(arrive on 6/1; depart 6/4 afternoon) | ||
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It is also good idea to bring an umbrella with you. | It is also good idea to bring an umbrella with you. | ||
== '''Lodging''' == | == '''Lodging'''== | ||
=== '''AT&T center''' === | ==='''AT&T center'''=== | ||
Reservation web link: | Reservation web link: https://book.passkey.com/go/VATECH0618 | ||
If you prefer to call or have a special request, please call 1-877-744-8822 or 512-404-3600 and mention the block code: '''VATECH0618''' | If you prefer to call or have a special request, please call 1-877-744-8822 or 512-404-3600 and mention the block code: '''VATECH0618''' | ||
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'''Even you are receving MolSSI/NSF support for the lodging expense, you are still expected to pay for the difference between the aculat cost and NSF limit (~$50 per night).''' | '''Even you are receving MolSSI/NSF support for the lodging expense, you are still expected to pay for the difference between the aculat cost and NSF limit (~$50 per night).''' | ||
Hotel website: | Hotel website: http://www.meetattexas.com/hotel | ||
=== '''Backup hotel''' === | ==='''Backup hotel'''=== | ||
The rooms in our block <s>may run</s> ran out as the number of participants keeps increasing. The hampton inn next to AT&T center is a good alternative and the cost is similiar to AT&T group rate. | The rooms in our block <s>may run</s> ran out as the number of participants keeps increasing. The hampton inn next to AT&T center is a good alternative and the cost is similiar to AT&T group rate.http://hamptoninn3.hilton.com/en/hotels/texas/hampton-inn-and-suites-austin-the-university-capitol-AUSUAHX/index.html | ||
== '''Moving around Austin''' == | == '''Moving around Austin'''== | ||
'''Between Airport and hotel''': Supershuttle (needs online reservation), taxi. Both uber and Lyft serve at AUS airport. | '''Between Airport and hotel''': Supershuttle (needs online reservation), taxi. Both uber and Lyft serve at AUS airport. | ||
| Line 44: | Line 41: | ||
== '''Meals:''' == | == '''Meals:'''== | ||
'''''Breakfast (June 2, 3, & 4) for all non-local participants:''''' | '''''Breakfast (June 2, 3, & 4) for all non-local participants:''''' | ||
| Line 53: | Line 50: | ||
Link for AT&T Cafe 125 | Link for AT&T Cafe 125 | ||
http://www.meetattexas.com/dining/cafe125 | |||
Menu for AT&T Cafe 125 | Menu for AT&T Cafe 125 | ||
http://biomol.bme.utexas.edu/~pren/TinkerMeeting/2018/menu/Breakfast%20Cafe%20125%20Menu.pdf | |||
'''''Lunches for June 2 & 3 will be provided at the meeting site (please email organizers if you have any restrictions)''''' | '''''Lunches for June 2 & 3 will be provided at the meeting site (please email organizers if you have any restrictions)''''' | ||
Lunch Menu: | Lunch Menu: | ||
http://biomol.bme.utexas.edu/~pren/TinkerMeeting/2018/menu/6-2-18%20Lunch%20menu.pdf | |||
'''''Saturday (June 2) dinner/social event will be at the <span style="background-color:#FFFF00;">AT&T center hotel </span>'''''<b><span style="background-color:#FFFF00;">in room PDR 1&2 starting 6:30</span></b> | '''''Saturday (June 2) dinner/social event will be at the <span style="background-color:#FFFF00;">AT&T center hotel </span>'''''<b><span style="background-color:#FFFF00;">in room PDR 1&2 starting 6:30</span></b> | ||
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| | ||
== '''Meeting location''': == | == '''Meeting location''':== | ||
BME 3.204 (107 W. Dean Keeton St., Austin, TX 78712) | BME 3.204 (107 W. Dean Keeton St., Austin, TX 78712) | ||
| Line 80: | Line 77: | ||
| | ||
== '''Sponsor''': == | == '''Sponsor''':== | ||
National Science Foundation via MolSSI ([http://molssi.org/) http://molssi.org/) | National Science Foundation via MolSSI ([http://molssi.org/) http://molssi.org/) | ||
| Line 86: | Line 83: | ||
| | ||
== '''Purpose''': == | == '''Purpose''':== | ||
Molecular modeling code development and synchronization, simulation algorithms and force field implementation, integration between programs, as well as tutorials and applications of TINKER, TINKER-HP/OpenMM. | Molecular modeling code development and synchronization, simulation algorithms and force field implementation, integration between programs, as well as tutorials and applications of TINKER, TINKER-HP/OpenMM. | ||
| Line 93: | Line 90: | ||
== '''Agenda''': == | == '''Agenda''': == | ||
[https://docs.google.com/document/d/1Zai2aV_MvMKWMDhmNcoABqKo50SRVuxs-HkwADeKBbA/edit?usp=sharing Agenga document link] | [https://docs.google.com/document/d/1Zai2aV_MvMKWMDhmNcoABqKo50SRVuxs-HkwADeKBbA/edit?usp=sharing Agenga document link] | ||
| Line 100: | Line 97: | ||
== '''Particpants''': == | == '''Particpants''':== | ||
[[File:Tinker2018group.jpg|border|left|830x380px|Tinker2018group.jpg]] | [[File:Tinker2018group.jpg|border|left|830x380px|Tinker2018group.jpg]] | ||
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{| border="0" cellpadding="0" cellspacing="0" dir="ltr" style="width: 389px" | {| border="0" cellpadding="0" cellspacing="0" dir="ltr" style="width: 389px" | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Greg Beran | | data-sheets-value="{" style="width: 134px" |Greg Beran | ||
| data-sheets-value="{" style="width: 251px" | UC Riverside | | data-sheets-value="{" style="width: 251px" |UC Riverside | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Bernie Brooks | | data-sheets-value="{" style="width: 134px" |Bernie Brooks | ||
| data-sheets-value="{" style="width: 251px" | NIH/NHLBI | | data-sheets-value="{" style="width: 251px" |NIH/NHLBI | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Dave Case | | data-sheets-value="{" style="width: 134px" |Dave Case | ||
| data-sheets-value="{" style="width: 251px" | Rutgers University | | data-sheets-value="{" style="width: 251px" |Rutgers University | ||
|- | |- | ||
| data-sheets-numberformat="[null,4," data-sheets-value="{" style="width: 134px" | Sara Cheng | | data-sheets-numberformat="[null,4," data-sheets-value="{" style="width: 134px" |Sara Cheng | ||
| data-sheets-numberformat="[null,4," data-sheets-value="{" style="width: 251px" | UT Austin | | data-sheets-numberformat="[null,4," data-sheets-value="{" style="width: 251px" |UT Austin | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Andres Cisneros | | data-sheets-value="{" style="width: 134px" |Andres Cisneros | ||
| data-sheets-value="{" style="width: 251px" | University of North Texas | | data-sheets-value="{" style="width: 251px" |University of North Texas | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Tom Darden | | data-sheets-value="{" style="width: 134px" |Tom Darden | ||
| data-sheets-value="{" style="width: 251px" | Openeye scientific | | data-sheets-value="{" style="width: 251px" |Openeye scientific | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Akshaya Das | | data-sheets-value="{" style="width: 134px" |Akshaya Das | ||
| data-sheets-value="{" style="width: 251px" | UC Berkeley | | data-sheets-value="{" style="width: 251px" |UC Berkeley | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Omar Demerdash | | data-sheets-value="{" style="width: 134px" |Omar Demerdash | ||
| data-sheets-value="{" style="width: 251px" | oak ridge national laboratory | | data-sheets-value="{" style="width: 251px" |oak ridge national laboratory | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Peter Eastman | | data-sheets-value="{" style="width: 134px" |Peter Eastman | ||
| data-sheets-value="{" style="width: 251px" | Stanford University | | data-sheets-value="{" style="width: 251px" |Stanford University | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Nohad Gresh | | data-sheets-value="{" style="width: 134px" |Nohad Gresh | ||
| data-sheets-value="{" style="width: 251px" | Sorbonne Université | | data-sheets-value="{" style="width: 251px" |Sorbonne Université | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Matthew Harger | | data-sheets-value="{" style="width: 134px" |Matthew Harger | ||
| data-sheets-value="{" style="width: 251px" | UT Austin | | data-sheets-value="{" style="width: 251px" |UT Austin | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Teresa Head-Gordon | | data-sheets-value="{" style="width: 134px" |Teresa Head-Gordon | ||
| data-sheets-value="{" style="width: 251px" | UC Berkeley | | data-sheets-value="{" style="width: 251px" |UC Berkeley | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Chris Ho | | data-sheets-value="{" style="width: 134px" |Chris Ho | ||
| data-sheets-value="{" style="width: 251px" | Drug Design Methodoligies | | data-sheets-value="{" style="width: 251px" |Drug Design Methodoligies | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Luc-Henri Jolly | | data-sheets-value="{" style="width: 134px" |Luc-Henri Jolly | ||
| data-sheets-value="{" style="width: 251px" | Sorbonne Université | | data-sheets-value="{" style="width: 251px" |Sorbonne Université | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Preston Keller | | data-sheets-value="{" style="width: 134px" |Preston Keller | ||
| data-sheets-value="{" style="width: 251px" | Kingdom Capital | | data-sheets-value="{" style="width: 251px" |Kingdom Capital | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Louis Lagardere | | data-sheets-value="{" style="width: 134px" |Louis Lagardere | ||
| data-sheets-value="{" style="width: 251px" | Sorbonne Université | | data-sheets-value="{" style="width: 251px" |Sorbonne Université | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Filippo Lipparini | | data-sheets-value="{" style="width: 134px" |Filippo Lipparini | ||
| data-sheets-value="{" style="width: 251px" | University of Pisa | | data-sheets-value="{" style="width: 251px" |University of Pisa | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Jacob Litman | | data-sheets-value="{" style="width: 134px" |Jacob Litman | ||
| data-sheets-value="{" style="width: 251px" | University of Iowa | | data-sheets-value="{" style="width: 251px" |University of Iowa | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Chengwen Liu | | data-sheets-value="{" style="width: 134px" |Chengwen Liu | ||
| data-sheets-value="{" style="width: 251px" | UT Austin | | data-sheets-value="{" style="width: 251px" |UT Austin | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Marie Laury | | data-sheets-value="{" style="width: 134px" |Marie Laury | ||
| data-sheets-value="{" style="width: 251px" | Washington University in St. Louis | | data-sheets-value="{" style="width: 251px" |Washington University in St. Louis | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Daniele Loco | | data-sheets-value="{" style="width: 134px" |Daniele Loco | ||
| data-sheets-value="{" style="width: 251px" | Sorbonne Université | | data-sheets-value="{" style="width: 251px" |Sorbonne Université | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Yvon Maday | | data-sheets-value="{" style="width: 134px" |Yvon Maday | ||
| data-sheets-value="{" style="width: 251px" | Sorbonne Université | | data-sheets-value="{" style="width: 251px" |Sorbonne Université | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Jessica Nash | | data-sheets-value="{" style="width: 134px" |Jessica Nash | ||
| data-sheets-value="{" style="width: 251px" | MolSSI | | data-sheets-value="{" style="width: 251px" |MolSSI | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Paul Nerenberg | | data-sheets-value="{" style="width: 134px" |Paul Nerenberg | ||
| data-sheets-value="{" style="width: 251px" | California State University, Los Angeles | | data-sheets-value="{" style="width: 251px" |California State University, Los Angeles | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Dominique Nocito | | data-sheets-value="{" style="width: 134px" |Dominique Nocito | ||
| data-sheets-value="{" style="width: 251px" | UC Riverside | | data-sheets-value="{" style="width: 251px" |UC Riverside | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Xiaoliang Pan | | data-sheets-value="{" style="width: 134px" |Xiaoliang Pan | ||
| data-sheets-value="{" style="width: 251px" | Oklahoma University | | data-sheets-value="{" style="width: 251px" |Oklahoma University | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Cong Pan | | data-sheets-value="{" style="width: 134px" |Cong Pan | ||
| data-sheets-value="{" style="width: 251px" | HKUST | | data-sheets-value="{" style="width: 251px" |HKUST | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Jean-Philip Piquemal | | data-sheets-value="{" style="width: 134px" |Jean-Philip Piquemal | ||
| data-sheets-value="{" style="width: 251px" | Sorbonne Université | | data-sheets-value="{" style="width: 251px" |Sorbonne Université | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Jay Ponder | | data-sheets-value="{" style="width: 134px" |Jay Ponder | ||
| data-sheets-value="{" style="width: 251px" | Washington University in St. Louis | | data-sheets-value="{" style="width: 251px" |Washington University in St. Louis | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Rui Qi | | data-sheets-value="{" style="width: 134px" |Rui Qi | ||
| data-sheets-value="{" style="width: 251px" | UT Austin | | data-sheets-value="{" style="width: 251px" |UT Austin | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Josh Rackers | | data-sheets-value="{" style="width: 134px" |Josh Rackers | ||
| data-sheets-value="{" style="width: 251px" | Washington University in St. Louis | | data-sheets-value="{" style="width: 251px" |Washington University in St. Louis | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Julia Rice | | data-sheets-value="{" style="width: 134px" |Julia Rice | ||
| data-sheets-value="{" style="width: 251px" | IBM | | data-sheets-value="{" style="width: 251px" |IBM | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Pengyu Ren | | data-sheets-value="{" style="width: 134px" |Pengyu Ren | ||
| data-sheets-value="{" style="width: 251px" | UT Austin | | data-sheets-value="{" style="width: 251px" |UT Austin | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Michael Schnieders | | data-sheets-value="{" style="width: 134px" |Michael Schnieders | ||
| data-sheets-value="{" style="width: 251px" | University of Iowa | | data-sheets-value="{" style="width: 251px" |University of Iowa | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Yihan Shao | | data-sheets-value="{" style="width: 134px" |Yihan Shao | ||
| data-sheets-value="{" style="width: 251px" | Oklahoma University | | data-sheets-value="{" style="width: 251px" |Oklahoma University | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Michael Schauperl | | data-sheets-value="{" style="width: 134px" |Michael Schauperl | ||
| data-sheets-value="{" style="width: 251px" | UCSD | | data-sheets-value="{" style="width: 251px" |UCSD | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Andrew Simmonett | | data-sheets-value="{" style="width: 134px" |Andrew Simmonett | ||
| data-sheets-value="{" style="width: 251px" | NIH/NHLBI | | data-sheets-value="{" style="width: 251px" |NIH/NHLBI | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Benjamin Stamm | | data-sheets-value="{" style="width: 134px" |Benjamin Stamm | ||
| data-sheets-value="{" style="width: 251px" | RWTH Aachen University | | data-sheets-value="{" style="width: 251px" |RWTH Aachen University | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Ernest Smiley | | data-sheets-value="{" style="width: 134px" |Ernest Smiley | ||
| data-sheets-value="{" style="width: 251px" | Kingdom Capital | | data-sheets-value="{" style="width: 251px" |Kingdom Capital | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Bill Swope | | data-sheets-value="{" style="width: 134px" |Bill Swope | ||
| data-sheets-value="{" style="width: 251px" | IBM | | data-sheets-value="{" style="width: 251px" |IBM | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Mark Tuckerman | | data-sheets-value="{" style="width: 134px" |Mark Tuckerman | ||
| data-sheets-value="{" style="width: 251px" | NYU | | data-sheets-value="{" style="width: 251px" |NYU | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Sameer Varma | | data-sheets-value="{" style="width: 134px" |Sameer Varma | ||
| data-sheets-value="{" style="width: 251px" | University of South Florida | | data-sheets-value="{" style="width: 251px" |University of South Florida | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Brandon Walker | | data-sheets-value="{" style="width: 134px" |Brandon Walker | ||
| data-sheets-value="{" style="width: 251px" | UT Austin | | data-sheets-value="{" style="width: 251px" |UT Austin | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | George Whitwell | | data-sheets-value="{" style="width: 134px" |George Whitwell | ||
| data-sheets-value="{" style="width: 251px" | North Carolina Wesleyan College | | data-sheets-value="{" style="width: 251px" |North Carolina Wesleyan College | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Wei Yang | | data-sheets-value="{" style="width: 134px" |Wei Yang | ||
| data-sheets-value="{" style="width: 251px" | Florida State University | | data-sheets-value="{" style="width: 251px" |Florida State University | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Zhi Wang | | data-sheets-value="{" style="width: 134px" |Zhi Wang | ||
| data-sheets-value="{" style="width: 251px" | Washington University in St. Louis | | data-sheets-value="{" style="width: 251px" |Washington University in St. Louis | ||
|- | |- | ||
| data-sheets-value="{" style="width: 134px" | Guowei Wei | | data-sheets-value="{" style="width: 134px" |Guowei Wei | ||
| data-sheets-value="{" style="width: 251px" | Michigan State University | | data-sheets-value="{" style="width: 251px" |Michigan State University | ||
|} | |} | ||
Latest revision as of 03:32, 10 May 2022
TINKER Modeling Workshop 2018
Dates & location
Dates: June 2-4, 2018(arrive on 6/1; depart 6/4 afternoon) Meeting room: BME 3.204. Walking direction from AT&T to BME building (15 minutes walk from AT&T to BME) Organizers: Pengyu Ren (pren@mail.utexas.edu); Jay Ponder (ponder@dasher.wustl.edu); Jean-Philip Piquemal (jpp@lct.jussieu.fr)
The Weather will be hot this weekend. In the morning it should be ok to walk from AT&T to the BME building. It will be over 100 F in the late afternoon. If you perfer not to walk, you may take uber, lyft or buses back to hotel.
Bus routes (3-4 minutes walk, 10 minutes ride) info: Google link for transportation
Bring cash/changes if you will take buses. Line 5 is the most convenient; runs every 30 minutes; single ride $1.25/day pass $2.00 Line 981/980, runs every 10 minutes, single ride $3.50/day pass $7.00
It is also good idea to bring an umbrella with you.
Lodging
AT&T center
Reservation web link: https://book.passkey.com/go/VATECH0618
If you prefer to call or have a special request, please call 1-877-744-8822 or 512-404-3600 and mention the block code: VATECH0618
Even you are receving MolSSI/NSF support for the lodging expense, you are still expected to pay for the difference between the aculat cost and NSF limit (~$50 per night).
Hotel website: http://www.meetattexas.com/hotel
Backup hotel
The rooms in our block may run ran out as the number of participants keeps increasing. The hampton inn next to AT&T center is a good alternative and the cost is similiar to AT&T group rate.http://hamptoninn3.hilton.com/en/hotels/texas/hampton-inn-and-suites-austin-the-university-capitol-AUSUAHX/index.html
Moving around Austin
Between Airport and hotel: Supershuttle (needs online reservation), taxi. Both uber and Lyft serve at AUS airport.
Anywhere else in Austin: Uber or lyft is the most convenient to move around.
Meals:
Breakfast (June 2, 3, & 4) for all non-local participants:
If you are staying at AT&T, you will get the breakfast vouchers when checking in. The vouchers are for AT&T (grab & go) Cafe 125 (located at the L level, not LL).
If you are staying at the Hampton inn, it provides complimentary breakfast.
Link for AT&T Cafe 125 http://www.meetattexas.com/dining/cafe125 Menu for AT&T Cafe 125 http://biomol.bme.utexas.edu/~pren/TinkerMeeting/2018/menu/Breakfast%20Cafe%20125%20Menu.pdf
Lunches for June 2 & 3 will be provided at the meeting site (please email organizers if you have any restrictions)
Lunch Menu: http://biomol.bme.utexas.edu/~pren/TinkerMeeting/2018/menu/6-2-18%20Lunch%20menu.pdf
Saturday (June 2) dinner/social event will be at the AT&T center hotel in room PDR 1&2 starting 6:30
Sunday night, restaurants on 6th street. There are many choices: Parkside, Eureka, 1886 cafe, Stella San Jac, Stubbs... Take Uber/Lyft, or bus (click for bus route)
Meeting location:
BME 3.204 (107 W. Dean Keeton St., Austin, TX 78712)
Wlaking direction from hotel to meeting (walk towards the UT tower...):
Google walking direction from ATT to BME building
Sponsor:
National Science Foundation via MolSSI ([http://molssi.org/) http://molssi.org/)
Purpose:
Molecular modeling code development and synchronization, simulation algorithms and force field implementation, integration between programs, as well as tutorials and applications of TINKER, TINKER-HP/OpenMM.
Agenda:
Please email pren@mail.utexas.edu if you would like to add any items to the agenda.
Particpants:

| Greg Beran | UC Riverside |
| Bernie Brooks | NIH/NHLBI |
| Dave Case | Rutgers University |
| Sara Cheng | UT Austin |
| Andres Cisneros | University of North Texas |
| Tom Darden | Openeye scientific |
| Akshaya Das | UC Berkeley |
| Omar Demerdash | oak ridge national laboratory |
| Peter Eastman | Stanford University |
| Nohad Gresh | Sorbonne Université |
| Matthew Harger | UT Austin |
| Teresa Head-Gordon | UC Berkeley |
| Chris Ho | Drug Design Methodoligies |
| Luc-Henri Jolly | Sorbonne Université |
| Preston Keller | Kingdom Capital |
| Louis Lagardere | Sorbonne Université |
| Filippo Lipparini | University of Pisa |
| Jacob Litman | University of Iowa |
| Chengwen Liu | UT Austin |
| Marie Laury | Washington University in St. Louis |
| Daniele Loco | Sorbonne Université |
| Yvon Maday | Sorbonne Université |
| Jessica Nash | MolSSI |
| Paul Nerenberg | California State University, Los Angeles |
| Dominique Nocito | UC Riverside |
| Xiaoliang Pan | Oklahoma University |
| Cong Pan | HKUST |
| Jean-Philip Piquemal | Sorbonne Université |
| Jay Ponder | Washington University in St. Louis |
| Rui Qi | UT Austin |
| Josh Rackers | Washington University in St. Louis |
| Julia Rice | IBM |
| Pengyu Ren | UT Austin |
| Michael Schnieders | University of Iowa |
| Yihan Shao | Oklahoma University |
| Michael Schauperl | UCSD |
| Andrew Simmonett | NIH/NHLBI |
| Benjamin Stamm | RWTH Aachen University |
| Ernest Smiley | Kingdom Capital |
| Bill Swope | IBM |
| Mark Tuckerman | NYU |
| Sameer Varma | University of South Florida |
| Brandon Walker | UT Austin |
| George Whitwell | North Carolina Wesleyan College |
| Wei Yang | Florida State University |
| Zhi Wang | Washington University in St. Louis |
| Guowei Wei | Michigan State University |