Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method (Q58005548)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method |
article |
Statements
Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the linear interaction energy (LIE) method (English)
Eva Stjernschantz
John Marelius
Carmen Medina
Micael Jacobsson
1 September 2006
Identifiers
1 reference
28 January 2021