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Journal of Chemical Information and Modeling
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March 10, 2026
The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling
Karmen Čondić-Jurkić, Irfan Alibay, Woody Sherman, et al.
Chemical Science
|
August 16, 2024
Machine-learned molecular mechanics force fields from large-scale quantum chemical data
Kenichiro Takaba, Anika J Friedman, Chapin E Cavender, et al.
The Journal of Physical Chemistry. B
|
February 9, 2010
Current status of the AMOEBA polarizable force field
Jay W Ponder, Chuanjie Wu, Pengyu Ren, et al.
Living Journal of Computational Molecular Science
|
August 30, 2021
Best Practices for Alchemical Free Energy Calculations [Article v1.0]
Antonia S J S Mey, Bryce K Allen, Hannah E Bruce Macdonald, et al.
Living Journal of Computational Molecular Science
|
January 23, 2026
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0]
Chapin E Cavender, David A Case, Julian C-H Chen, et al.
Journal of Computer-Aided Molecular Design
|
January 28, 2020
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
Andrea Rizzi, Travis Jensen, David R Slochower, et al.
Arxiv
|
April 8, 2025
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v0.1]
Chapin E Cavender, David A Case, Julian C-H Chen, et al.
Journal of Chemical Information and Modeling
|
November 26, 2022
Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field
Lorenzo D'Amore, David F Hahn, David L Dotson, et al.
Journal of Chemical Theory and Computation
|
April 21, 2026
Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge Model
Lily Wang, Irfan Alibay, Pavan Kumar Behara, et al.
Journal of Chemical Theory and Computation
|
September 22, 2021
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field
Yudong Qiu, Daniel G A Smith, Simon Boothroyd, et al.
Page
of 16
Search research articles
Search
Showing results (141-150 of 153) with videos related to
Sort By:
Page
of 16
Journal of Chemical Information and Modeling
|
March 10, 2026
The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling
Karmen Čondić-Jurkić, Irfan Alibay, Woody Sherman, et al.
Chemical Science
|
August 16, 2024
Machine-learned molecular mechanics force fields from large-scale quantum chemical data
Kenichiro Takaba, Anika J Friedman, Chapin E Cavender, et al.
The Journal of Physical Chemistry. B
|
February 9, 2010
Current status of the AMOEBA polarizable force field
Jay W Ponder, Chuanjie Wu, Pengyu Ren, et al.
Living Journal of Computational Molecular Science
|
August 30, 2021
Best Practices for Alchemical Free Energy Calculations [Article v1.0]
Antonia S J S Mey, Bryce K Allen, Hannah E Bruce Macdonald, et al.
Living Journal of Computational Molecular Science
|
January 23, 2026
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0]
Chapin E Cavender, David A Case, Julian C-H Chen, et al.
Journal of Computer-Aided Molecular Design
|
January 28, 2020
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
Andrea Rizzi, Travis Jensen, David R Slochower, et al.
Arxiv
|
April 8, 2025
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v0.1]
Chapin E Cavender, David A Case, Julian C-H Chen, et al.
Journal of Chemical Information and Modeling
|
November 26, 2022
Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field
Lorenzo D'Amore, David F Hahn, David L Dotson, et al.
Journal of Chemical Theory and Computation
|
April 21, 2026
Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge Model
Lily Wang, Irfan Alibay, Pavan Kumar Behara, et al.
Journal of Chemical Theory and Computation
|
September 22, 2021
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field
Yudong Qiu, Daniel G A Smith, Simon Boothroyd, et al.
Page
of 16