Small Molecule Force Field Development: Valence Parameter Optimization Pavan Behara Mobley Lab, UC Irvine This is a presentation from the second day of the 2023 OMSF Symposium in Boston, which ran as a hybrid in-person/virtual event. https://youtu.be/oLjJEuoLwF8Research supported by NIH R01 GM13238
We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules,...
Poster presented at the Wednesday/Thursday session of the 2023 CADD Gordon Research Conference
Poster presented at the 66th Annual Meeting of the Biophysical Society, San Fransisco, CA, USA, 2022...
Modeling proteins and small molecules self-consistently with Open Force Field Chapin E. Cavender O...
Optimizing molecular mechanics force fields in chemical space using binary-encoded SMARTS Trevor Go...
Bespoke Force Field Parameters for Computer-Aided Drug Design Daniel Cole, Newcastle University Th...
Functional Form Exploration The Double Exponential Force Field for small molecules Josh Horton, Sim...
Force fields form the basis for classical molecular simulations, and their accuracy is crucial for t...
Automatic inference and sampling of force field parameter types Tobias Hüfner Max-Planck-Institute...
David Mobley presents the current status of the Open Force Field Initiative and the progress made du...
This presentation is a part of the Open Force Field Virtual Meeting 2020. Abstract: I will present ...
A simple polarizable electrostatic model for molecular dynamics Liangyue Willa Wang Gilson Lab, UC...
Poster presentation for the 67th Annual Meeting of the Biophysical Society, February 18-22, 2023, Sa...
This is a record for the blog post entry published on the openforcefield.org website on Oct 19, 2019...
The Open Force Field Initiative (openforcefield.org) is developing a machinery to automatically para...
We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules,...
Poster presented at the Wednesday/Thursday session of the 2023 CADD Gordon Research Conference
Poster presented at the 66th Annual Meeting of the Biophysical Society, San Fransisco, CA, USA, 2022...
Modeling proteins and small molecules self-consistently with Open Force Field Chapin E. Cavender O...
Optimizing molecular mechanics force fields in chemical space using binary-encoded SMARTS Trevor Go...
Bespoke Force Field Parameters for Computer-Aided Drug Design Daniel Cole, Newcastle University Th...
Functional Form Exploration The Double Exponential Force Field for small molecules Josh Horton, Sim...
Force fields form the basis for classical molecular simulations, and their accuracy is crucial for t...
Automatic inference and sampling of force field parameter types Tobias Hüfner Max-Planck-Institute...
David Mobley presents the current status of the Open Force Field Initiative and the progress made du...
This presentation is a part of the Open Force Field Virtual Meeting 2020. Abstract: I will present ...
A simple polarizable electrostatic model for molecular dynamics Liangyue Willa Wang Gilson Lab, UC...
Poster presentation for the 67th Annual Meeting of the Biophysical Society, February 18-22, 2023, Sa...
This is a record for the blog post entry published on the openforcefield.org website on Oct 19, 2019...
The Open Force Field Initiative (openforcefield.org) is developing a machinery to automatically para...
We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules,...
Poster presented at the Wednesday/Thursday session of the 2023 CADD Gordon Research Conference
Poster presented at the 66th Annual Meeting of the Biophysical Society, San Fransisco, CA, USA, 2022...
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