Building an open, self-consistent force field for biopolymers and small molecules with the Open Force Field Initiative infrastructure

Open Force Field: next-generation force fields with open data, open software, and open science

Wagner, Jeffrey

August 2023

The Open Force Field (OpenFF) initiative was formed to produce open and extensible infrastructure to...

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

Simon, Boothroyd
Pavan Kumar, Behara
Owen, Madin
David, Hahn
Hyesu, Jang
Vytautas, Gapsys
Jeffrey, Wagner
Joshua, Horton
David, Dotson
Matthew, Thompson
Jessica, Maat
Trevor, Gokey
Lee-Ping, Wang
Daniel, Cole
Michael, Gilson
John, Chodera
Christopher, Bayly
Michael, Shirts
David, Mobley

January 2023

We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules,...

OpenFF Biopolymer FF meeting: dipeptide 2-D TorsionDrives

Cavender, Chapin E

January 2022

Open Force Field protein force field meeting. Chapin Cavender presented quantum mechanics (QM) energ...

Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the Open Force Field Initiative

Cavender, Chapin E.
Behara, Pavan K.
Boothroyd, Simon
Dotson, David L.
Horton, Joshua T.
Mitchell, Joshua A.
Pulido, Ivan J.
Thompson, Matthew W.
Wagner, Jeffrey
Wang, Lily
Chodera, John D.
Cole, Daniel J.
Mobley, David L.
Shirts, Michael R.
Gilson, Michael K.

March 2023

Poster presentation for the 67th Annual Meeting of the Biophysical Society, February 18-22, 2023, Sa...

Biomolecules in Open Force Field: Goals made possible by new NIH funding

Shirts, Michael R.

May 2020

This presentation is a part of the Open Force Field Virtual Meeting 2020. Abstract: An overview of ...

Session II: Future Directions for Open Force Field Initiative

Chodera, J. D.

May 2020

This presentation is a part of the Open Force Field Virtual Meeting 2020. Abstract: This talk provi...

Development of a self-consistent force field for proteins and small molecules from the Open Force Field Initiative

Cavender, Chapin E.
Behara, Pavan K.
Boothroyd, Simon
Dotson, David L.
Gokey, Trevor
Horton, Joshua T.
Mitchell, Joshua A.
Pulido, Ivan J.
Thompson, Matthew W.
Wagner, Jeffrey
Wang, Lily
Chodera, John D.
Cole, Daniel J.
Mobley, David L.
Shirts, Michael R.
Gilson, Michael K.

March 2023

Summary of progress on the development of a SMIRNOFF force field that models proteins and small mole...

2023 OpenFF Annual Meeting - Modeling proteins and small molecules self-consistently with Open Force Field

Chapin Cavender

May 2023

Modeling proteins and small molecules self-consistently with Open Force Field Chapin E. Cavender O...

Open Force Field: Improving the accuracy and applicability of open molecular models

Jeffrey Wagner

July 2023

Poster presented at the Wednesday/Thursday session of the 2023 CADD Gordon Research Conference

The Open Force Field Initiative: An Open Source, Open Science Approach to Better Biomolecular Force Fields [Andy Vinter Memorial Meeting]

Chodera, John D.

June 2022

Overview of the Open Force Field Initiative activities, presented at the Andy Vinter Memorial Sympos...

Progress and status of the OpenFF small molecule force field

Mobley, David L.

September 2019

David Mobley presents the current status of the Open Force Field Initiative and the progress made du...

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

Lorenzo D’Amore (2542618)
David F. Hahn (9681119)
David L. Dotson (14094521)
Joshua T. Horton (10686953)
Jamshed Anwar (1988818)
Ian Craig (128075)
Thomas Fox (1320582)
Alberto Gobbi (1508113)
Sirish Kaushik Lakkaraju (1651375)
Xavier Lucas (400968)
Katharina Meier (2321314)
David L. Mobley (1323615)
Arjun Narayanan (197239)
Christina E. M. Schindler (9337871)
William C. Swope (1338840)
Pieter J. in ’t Veld (11057722)
Jeffrey Wagner (2108986)
Bai Xue (228939)
Gary Tresadern (836509)

November 2022

Force fields form the basis for classical molecular simulations, and their accuracy is crucial for t...

2023 OpenFF Annual Meeting - Small Molecule Force Field Development: Valence Parameter Optimization

Pavan Behara

May 2023

Small Molecule Force Field Development: Valence Parameter Optimization Pavan Behara Mobley Lab, UC...

OpenFF Biopolymer FF meeting: tetrapeptide torsion profiles

Chapin E. Cavender

September 2021

Open Force Field protein force field meeting. Chapin Cavender presented a benchmark of OpenFF force ...

BioExcel Webinar #31 - Open Force Field Initiative: The SMIRNOFF format and learned chemical perception

Bannan, Caitlin

October 2018

The Open Force Field Initiative (openforcefield.org) is developing a machinery to automatically para...

Open Force Field: next-generation force fields with open data, open software, and open science

Wagner, Jeffrey

August 2023

The Open Force Field (OpenFF) initiative was formed to produce open and extensible infrastructure to...

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

Simon, Boothroyd
Pavan Kumar, Behara
Owen, Madin
David, Hahn
Hyesu, Jang
Vytautas, Gapsys
Jeffrey, Wagner
Joshua, Horton
David, Dotson
Matthew, Thompson
Jessica, Maat
Trevor, Gokey
Lee-Ping, Wang
Daniel, Cole
Michael, Gilson
John, Chodera
Christopher, Bayly
Michael, Shirts
David, Mobley

January 2023

We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules,...

OpenFF Biopolymer FF meeting: dipeptide 2-D TorsionDrives

Cavender, Chapin E

January 2022

Open Force Field protein force field meeting. Chapin Cavender presented quantum mechanics (QM) energ...

Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the Open Force Field Initiative

Cavender, Chapin E.
Behara, Pavan K.
Boothroyd, Simon
Dotson, David L.
Horton, Joshua T.
Mitchell, Joshua A.
Pulido, Ivan J.
Thompson, Matthew W.
Wagner, Jeffrey
Wang, Lily
Chodera, John D.
Cole, Daniel J.
Mobley, David L.
Shirts, Michael R.
Gilson, Michael K.

March 2023

Poster presentation for the 67th Annual Meeting of the Biophysical Society, February 18-22, 2023, Sa...

Biomolecules in Open Force Field: Goals made possible by new NIH funding

Shirts, Michael R.

May 2020

This presentation is a part of the Open Force Field Virtual Meeting 2020. Abstract: An overview of ...

Session II: Future Directions for Open Force Field Initiative

Chodera, J. D.

May 2020

This presentation is a part of the Open Force Field Virtual Meeting 2020. Abstract: This talk provi...

Development of a self-consistent force field for proteins and small molecules from the Open Force Field Initiative

Cavender, Chapin E.
Behara, Pavan K.
Boothroyd, Simon
Dotson, David L.
Gokey, Trevor
Horton, Joshua T.
Mitchell, Joshua A.
Pulido, Ivan J.
Thompson, Matthew W.
Wagner, Jeffrey
Wang, Lily
Chodera, John D.
Cole, Daniel J.
Mobley, David L.
Shirts, Michael R.
Gilson, Michael K.

March 2023

Summary of progress on the development of a SMIRNOFF force field that models proteins and small mole...

2023 OpenFF Annual Meeting - Modeling proteins and small molecules self-consistently with Open Force Field

Chapin Cavender

May 2023

Modeling proteins and small molecules self-consistently with Open Force Field Chapin E. Cavender O...

Open Force Field: Improving the accuracy and applicability of open molecular models

Jeffrey Wagner

July 2023

Poster presented at the Wednesday/Thursday session of the 2023 CADD Gordon Research Conference

The Open Force Field Initiative: An Open Source, Open Science Approach to Better Biomolecular Force Fields [Andy Vinter Memorial Meeting]

Chodera, John D.

June 2022

Overview of the Open Force Field Initiative activities, presented at the Andy Vinter Memorial Sympos...

Progress and status of the OpenFF small molecule force field

Mobley, David L.

September 2019

David Mobley presents the current status of the Open Force Field Initiative and the progress made du...

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

Lorenzo D’Amore (2542618)
David F. Hahn (9681119)
David L. Dotson (14094521)
Joshua T. Horton (10686953)
Jamshed Anwar (1988818)
Ian Craig (128075)
Thomas Fox (1320582)
Alberto Gobbi (1508113)
Sirish Kaushik Lakkaraju (1651375)
Xavier Lucas (400968)
Katharina Meier (2321314)
David L. Mobley (1323615)
Arjun Narayanan (197239)
Christina E. M. Schindler (9337871)
William C. Swope (1338840)
Pieter J. in ’t Veld (11057722)
Jeffrey Wagner (2108986)
Bai Xue (228939)
Gary Tresadern (836509)

November 2022

Force fields form the basis for classical molecular simulations, and their accuracy is crucial for t...

2023 OpenFF Annual Meeting - Small Molecule Force Field Development: Valence Parameter Optimization

Pavan Behara

May 2023

Small Molecule Force Field Development: Valence Parameter Optimization Pavan Behara Mobley Lab, UC...

OpenFF Biopolymer FF meeting: tetrapeptide torsion profiles

Chapin E. Cavender

September 2021

Open Force Field protein force field meeting. Chapin Cavender presented a benchmark of OpenFF force ...

BioExcel Webinar #31 - Open Force Field Initiative: The SMIRNOFF format and learned chemical perception

Bannan, Caitlin

October 2018

The Open Force Field Initiative (openforcefield.org) is developing a machinery to automatically para...

Open Force Field: next-generation force fields with open data, open software, and open science

Wagner, Jeffrey

August 2023

The Open Force Field (OpenFF) initiative was formed to produce open and extensible infrastructure to...

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

Simon, Boothroyd
Pavan Kumar, Behara
Owen, Madin
David, Hahn
Hyesu, Jang
Vytautas, Gapsys
Jeffrey, Wagner
Joshua, Horton
David, Dotson
Matthew, Thompson
Jessica, Maat
Trevor, Gokey
Lee-Ping, Wang
Daniel, Cole
Michael, Gilson
John, Chodera
Christopher, Bayly
Michael, Shirts
David, Mobley

January 2023

We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules,...

OpenFF Biopolymer FF meeting: dipeptide 2-D TorsionDrives

Cavender, Chapin E

January 2022

Open Force Field protein force field meeting. Chapin Cavender presented quantum mechanics (QM) energ...

Building an open, self-consistent force field for biopolymers and small molecules with the Open Force Field Initiative infrastructure

Abstract

Extracted data

Building an open, self-consistent force field for biopolymers and small molecules with the Open Force Field Initiative infrastructure

Abstract

Extracted data

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