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Mohammad M Ghahremanpour

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The Journal of Physical Chemistry. B|August 1, 2022
Refinement of the Optimized Potentials for Liquid Simulations Force Field for Thermodynamics and Dynamics of Liquid AlkanesMohammad M Ghahremanpour, Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Information and Modeling|August 10, 2023
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main ProteaseMohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.
Scientific Data|April 11, 2018
The Alexandria library, a quantum-chemical database of molecular properties for force field developmentMohammad M Ghahremanpour, Paul J van Maaren, David van der Spoel
The Journal of Physical Chemistry. B|December 21, 2023
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and EthersWilliam L Jorgensen, Mohammad M Ghahremanpour, Anastasia Saar, et al.
Journal of Chemical Information and Modeling|November 22, 2023
Ensemble Geometric Deep Learning of Aqueous SolubilityMohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.
Journal of Chemical Information and Modeling|November 7, 2023
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease InhibitorsAnastasia Saar, Mohammad M Ghahremanpour, Julian Tirado-Rives, et al.
Nature Communications|July 6, 2026
FLOWR.ROOT - A flow matching-based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity predictionJulian Cremer, Tuan Le, Mohammad M Ghahremanpour, et al.
Arxiv|November 19, 2025
Flowr.root - A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity predictionJulian Cremer, Tuan Le, Mohammad M Ghahremanpour, et al.
Journal of Chemical Theory and Computation|October 10, 2018
Phase-Transferable Force Field for Alkali HalidesMarie-Madeleine Walz, Mohammad M Ghahremanpour, Paul J van Maaren, et al.
The Journal of Chemical Physics|September 3, 2020
A potential for molecular simulation of compounds with linear moietiesDavid van der Spoel, Henning Henschel, Paul J van Maaren, et al.
Pageof 2

Showing results (1-10 of 13) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry. B|August 1, 2022
Refinement of the Optimized Potentials for Liquid Simulations Force Field for Thermodynamics and Dynamics of Liquid AlkanesMohammad M Ghahremanpour, Julian Tirado-Rives, William L Jorgensen
Journal of Chemical Information and Modeling|August 10, 2023
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main ProteaseMohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.
Scientific Data|April 11, 2018
The Alexandria library, a quantum-chemical database of molecular properties for force field developmentMohammad M Ghahremanpour, Paul J van Maaren, David van der Spoel
The Journal of Physical Chemistry. B|December 21, 2023
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and EthersWilliam L Jorgensen, Mohammad M Ghahremanpour, Anastasia Saar, et al.
Journal of Chemical Information and Modeling|November 22, 2023
Ensemble Geometric Deep Learning of Aqueous SolubilityMohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.
Journal of Chemical Information and Modeling|November 7, 2023
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease InhibitorsAnastasia Saar, Mohammad M Ghahremanpour, Julian Tirado-Rives, et al.
Nature Communications|July 6, 2026
FLOWR.ROOT - A flow matching-based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity predictionJulian Cremer, Tuan Le, Mohammad M Ghahremanpour, et al.
Arxiv|November 19, 2025
Flowr.root - A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity predictionJulian Cremer, Tuan Le, Mohammad M Ghahremanpour, et al.
Journal of Chemical Theory and Computation|October 10, 2018
Phase-Transferable Force Field for Alkali HalidesMarie-Madeleine Walz, Mohammad M Ghahremanpour, Paul J van Maaren, et al.
The Journal of Chemical Physics|September 3, 2020
A potential for molecular simulation of compounds with linear moietiesDavid van der Spoel, Henning Henschel, Paul J van Maaren, et al.
Pageof 2