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

By Ingo Reulecke, G. Lange, Jürgen Albrecht, Robert Klein, Matthias Rarey. 2008

198 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology, Computational Chemistry & Drug Discovery

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. Eszter Hazai
2. Zsolt Bikádi

In Materials Chemistry

1. Eszter Hazai
2. Zsolt Bikádi

In Molecular Biology

1. Eszter Hazai
2. Zsolt Bikádi

In Computational Chemistry & Drug Discovery

1. Eszter Hazai
2. Zsolt Bikádi

Citations in the corpus

• Molecular Docking and Structure-Based Drug Design Strategies (2015, neutral): “…[60] PMF_Score [83] ICM [46] X_Score [66] MotifScore [84] LigandFit [47] F_Score [73] RF_Score [85] Molegro Virtual Docker [48] Fresno [75] PESD_SVM [86] SYBYL_G-Score [73] SCORE [76] PoseScore [87] SYBYL_D-Score [73] LUDI [77] MedusaScore [74] SFCscore [78] HYDE [79] LigScore [80] PLP [81]”
• Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock (2009, background): “In addition, considering the high number of false positives in docking calculations, it is reasonable to assume that in addition to stabilizing contributions, there are destabilizing contributions to ΔG which are in most scoring functions not taken into account [75].”