tailieuchung - A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model

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A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model

Anh Thảo 59 16 pdf

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In the rational drug design process, an ensemble of conformations obtained from a molecular dynamics simulation plays a crucial role in docking experiments. Some studies have found that Fully-Flexible Receptor (FFR) models predict realistic binding energy accurately and improve scoring to enhance selectiveness. |

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A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model

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