Computational Workflow for Refining AlphaFold Models in Drug Design Using Kinetic and Thermodynamic Binding Calculations: A Case Study for the Unresolved …
M Stampelou, G Ladds, A Kolocouris - The Journal of Physical Chemistry … - ACS Publications
A structure-based drug design pipeline that considers both thermodynamic and kinetic
binding data of ligands against a receptor will enable the computational design of improved …
binding data of ligands against a receptor will enable the computational design of improved …
Computational Workflow for Refining AlphaFold Models in Drug Design Using Kinetic and Thermodynamic Binding Calculations: A Case Study for the Unresolved …
M Stampelou, G Ladds… - The journal of physical …, 2024 - pubmed.ncbi.nlm.nih.gov
A structure-based drug design pipeline that considers both thermodynamic and kinetic
binding data of ligands against a receptor will enable the computational design of improved …
binding data of ligands against a receptor will enable the computational design of improved …
Computational Workflow for Refining AlphaFold Models in Drug Design Using Kinetic and Thermodynamic Binding Calculations: A Case Study for the Unresolved …
M Stampelou, G Ladds, A Kolocouris - The Journal of Physical …, 2024 - europepmc.org
A structure-based drug design pipeline that considers both thermodynamic and kinetic
binding data of ligands against a receptor will enable the computational design of improved …
binding data of ligands against a receptor will enable the computational design of improved …
[引用][C] Computational Workflow for Refining AlphaFold Models in Drug Design Using Kinetic and Thermodynamic Binding Calculations: A Case Study for the …
M Stampelou, G Ladds, A Kolocouris - 2024 - repository.cam.ac.uk