Towards an integrated description of hydrogen bonding and dehydration: decreasing false positives in virtual screening with the HYDE scoring function

I Reulecke, G Lange, J Albrecht… - ChemMedChem …, 2008 - Wiley Online Library
We developed a new empirical scoring function, HYDE, for the evaluation of protein–ligand
complexes. HYDE estimates binding free energy based on two terms for dehydration and …
被引用次数：241 相关文章

Towards an integrated description of hydrogen bonding and dehydration: decreasing false positives in virtual screening with the HYDE scoring function

I Reulecke, G Lange, J Albrecht, R Klein… - …, 2008 - pubmed.ncbi.nlm.nih.gov
We developed a new empirical scoring function, HYDE, for the evaluation of protein-ligand
complexes. HYDE estimates binding free energy based on two terms for dehydration and …

Towards an integrated description of hydrogen bonding and dehydration: decreasing false positives in virtual screening with the HYDE scoring function.

I Reulecke, G Lange, J Albrecht, R Klein, M Rarey - Chemmedchem, 2008 - europepmc.org
We developed a new empirical scoring function, HYDE, for the evaluation of protein-ligand
complexes. HYDE estimates binding free energy based on two terms for dehydration and …

[引用][C] Towards an Integrated Description of Hydrogen Bonding and Dehydration: Decreasing False Positives in Virtual Screening with the HYDE Scoring Function

I REULECKE, G LANGE, J ALBRECHT, R KLEIN… - ChemMedChem, 2008 - Wiley-VCH