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Journal of Chemical Theory and Computation
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June 4, 2021
Metadynamics-Based Approaches for Modeling the Hypoxia-Inducible Factor 2α Ligand Binding Process
Lara Callea, Laura Bonati, Stefano Motta
Journal of Molecular Biology
|
October 5, 2023
The AhR Signaling Mechanism: A Structural Point of View
Laura Bonati, Stefano Motta, Lara Callea
Journal of Chemical Theory and Computation
|
February 25, 2022
PathDetect-SOM: A Neural Network Approach for the Identification of Pathways in Ligand Binding Simulations
Stefano Motta, Lara Callea, Laura Bonati, et al.
Scientific Reports
|
November 3, 2018
Exploring the PXR ligand binding mechanism with advanced Molecular Dynamics methods
Stefano Motta, Lara Callea, Sara Giani Tagliabue, et al.
The Journal of Chemical Physics
|
October 3, 2024
Self-organizing maps of unbiased ligand-target binding pathways and kinetics
Lara Callea, Camilla Caprai, Laura Bonati, et al.
Bioinformatics (Oxford, England)
|
May 15, 2025
SOMMD: An R Package for the Analysis of Molecular Dynamics Simulations using Self-Organising Map
Stefano Motta, Lara Callea, Shaziya Ismail Mulla, et al.
Journal of Chemical Information and Modeling
|
June 15, 2023
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations
Bharath Raghavan, Mirko Paulikat, Katya Ahmad, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
June 4, 2021
Metadynamics-Based Approaches for Modeling the Hypoxia-Inducible Factor 2α Ligand Binding Process
Lara Callea, Laura Bonati, Stefano Motta
Journal of Molecular Biology
|
October 5, 2023
The AhR Signaling Mechanism: A Structural Point of View
Laura Bonati, Stefano Motta, Lara Callea
Journal of Chemical Theory and Computation
|
February 25, 2022
PathDetect-SOM: A Neural Network Approach for the Identification of Pathways in Ligand Binding Simulations
Stefano Motta, Lara Callea, Laura Bonati, et al.
Scientific Reports
|
November 3, 2018
Exploring the PXR ligand binding mechanism with advanced Molecular Dynamics methods
Stefano Motta, Lara Callea, Sara Giani Tagliabue, et al.
The Journal of Chemical Physics
|
October 3, 2024
Self-organizing maps of unbiased ligand-target binding pathways and kinetics
Lara Callea, Camilla Caprai, Laura Bonati, et al.
Bioinformatics (Oxford, England)
|
May 15, 2025
SOMMD: An R Package for the Analysis of Molecular Dynamics Simulations using Self-Organising Map
Stefano Motta, Lara Callea, Shaziya Ismail Mulla, et al.
Journal of Chemical Information and Modeling
|
June 15, 2023
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations
Bharath Raghavan, Mirko Paulikat, Katya Ahmad, et al.
Page
of 1