LigScore: a novel scoring function for predicting binding affinities.
By A. Krammer, P. Kirchhoff, X. Jiang, C. Venkatachalam, M. Waldman. 2005
361 citations recorded by the source corpus.
Subfields: Computational Theory and Mathematics, Materials Chemistry, Pharmacology, 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
- Shengyou Huang
- Xiaoqin Zou
- Robert B. Murphy
- D. Lee
- Nicolas Moitessier
- Pablo Englebienne
- Christopher R. Corbeil
- J. Lawandi
In Materials Chemistry
- Shengyou Huang
- Xiaoqin Zou
- Richard A. Friesner
- Jeremy R. Greenwood
- Yumeng Yan
- Huanyu Tao
- Pei-Zhang Zhou
In Pharmacology
In Computational Chemistry & Drug Discovery
- Shengyou Huang
- Xiaoqin Zou
- D. Lee
- Nicolas Moitessier
- Pablo Englebienne
- Christopher R. Corbeil
- J. Lawandi
- Stefano Moro
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]”
- Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go (2008, background): “, 2002) LigScore LigandFit Empirical (Krammer et al., 2005) PLP LigandFit, FRED, DockIt Empirical (Gehlhaar et al.”
- A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking (2010, neutral): “Five scoring functions in the Discovery Studio software version 2.0 (Accelrys, 2001): LigScore (Krammer et al., 2005), PLP (Gehlhaar et al., 1995), PMF (Muegge, 2000, 2001, 2006; Muegge and Martin, 1999), Jain (Jain, 1996) and LUDI (Böhm, 1994, 1998).”
- Advances and Challenges in Protein-Ligand Docking (2010, background): “GlideScore [51,52], PLP [119,120], SYBYL/F-Score [55], LigScore [118], LUDI [115,117], SCORE [116], X-Score [121], ChemScore [114], MedusaScore [122], AIScore [123], and SFCscore [124] are examples of empirical scoring functions.”
- Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. (2006, methodology): “35,36 However, the methods in these papers are based on continuum-solvation approaches.”