Optimizing molecular mechanics force fields in chemical space using binary-encoded SMARTS Trevor Gokey 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/w_aRVy4QN-wResearch supported by NIH R01 GM13238
Poster presented at the 66th Annual Meeting of the Biophysical Society, San Fransisco, CA, USA, 2022...
David Mobley presents the current status of the Open Force Field Initiative and the progress made du...
Poster presented at the Wednesday/Thursday session of the 2023 CADD Gordon Research Conference
Modeling proteins and small molecules self-consistently with Open Force Field Chapin E. Cavender O...
Small Molecule Force Field Development: Valence Parameter Optimization Pavan Behara Mobley Lab, UC...
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...
Automatic inference and sampling of force field parameter types Tobias Hüfner Max-Planck-Institute...
A neural network for self-consistent charges Lily Wang Open Force Field This is a presentation fr...
Current Capabilities Jeff Wagner, Josh Mitchell, Matt Thompson Open Force Field This is a present...
TrIP - Transformer Interatomic Potential enables solvated protein simulations with near DFT accuracy...
The Open Force Field Initiative (openforcefield.org) is developing a machinery to automatically para...
Tuning Potential Functions to Host-Guest Binding Data A case study with implicit solvent Jeffry Se...
Poster presentation for the 67th Annual Meeting of the Biophysical Society, February 18-22, 2023, Sa...
Force fields form the basis for classical molecular simulations, and their accuracy is crucial for t...
Poster presented at the 66th Annual Meeting of the Biophysical Society, San Fransisco, CA, USA, 2022...
David Mobley presents the current status of the Open Force Field Initiative and the progress made du...
Poster presented at the Wednesday/Thursday session of the 2023 CADD Gordon Research Conference
Modeling proteins and small molecules self-consistently with Open Force Field Chapin E. Cavender O...
Small Molecule Force Field Development: Valence Parameter Optimization Pavan Behara Mobley Lab, UC...
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...
Automatic inference and sampling of force field parameter types Tobias Hüfner Max-Planck-Institute...
A neural network for self-consistent charges Lily Wang Open Force Field This is a presentation fr...
Current Capabilities Jeff Wagner, Josh Mitchell, Matt Thompson Open Force Field This is a present...
TrIP - Transformer Interatomic Potential enables solvated protein simulations with near DFT accuracy...
The Open Force Field Initiative (openforcefield.org) is developing a machinery to automatically para...
Tuning Potential Functions to Host-Guest Binding Data A case study with implicit solvent Jeffry Se...
Poster presentation for the 67th Annual Meeting of the Biophysical Society, February 18-22, 2023, Sa...
Force fields form the basis for classical molecular simulations, and their accuracy is crucial for t...
Poster presented at the 66th Annual Meeting of the Biophysical Society, San Fransisco, CA, USA, 2022...
David Mobley presents the current status of the Open Force Field Initiative and the progress made du...
Poster presented at the Wednesday/Thursday session of the 2023 CADD Gordon Research Conference
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