Further development and validation of empirical scoring functions for structure-based binding affinity prediction

By Renxiao Wang, Luhua Lai, Shaomeng Wang. 2002

1,084 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Molecular Biology, 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

1. Shengyou Huang
2. Xiaoqin Zou
3. Pedro J. Ballester
4. John B. O. Mitchell
5. R. Quiroga
6. Marcos A. Villarreal
7. Renxiao Wang
8. Pedro Alexandrino Fernandes

In Molecular Biology

1. Shengyou Huang
2. Xiaoqin Zou
3. Pedro J. Ballester
4. John B. O. Mitchell
5. Dmitri I. Svergun
6. M. Petoukhov
7. R. Quiroga
8. Marcos A. Villarreal

In Pharmacology

1. Shengyou Huang
2. Xiaoqin Zou
3. Pedro J. Ballester
4. John B. O. Mitchell
5. R. Quiroga
6. Marcos A. Villarreal
7. Hiroaki Kitano
8. Kun-Yi Hsin

In Computational Chemistry & Drug Discovery

1. Shengyou Huang
2. Xiaoqin Zou
3. Pedro J. Ballester
4. John B. O. Mitchell
5. Hiroaki Kitano
6. Kun-Yi Hsin
7. Samik Ghosh
8. R. Quiroga

Citations in the corpus

• Molecular Docking and Structure-Based Drug Design Strategies (2015, neutral): “…DOCK [32] AutoDock [34] SMoG [82] AutoDock [34] GlideScore [37] DrugScore [62] GoldScore [35] ChemScore [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]…”
• Protein-ligand docking in the new millennium--a retrospective of 10 years in the field. (2013, methodology): “Popular examples of scoring functions include ChemScore [15], DrugScore [16, 17], D-Score [18], Fresno [19], F-Score [20], G-Score [18], GoldScore [21], SMoG score [22], and X-SCORE [23].”
• Advances and Challenges in Protein-Ligand Docking (2010, methodology): “MultiScore and X-Cscore are two examples of consensus scoring methods [121,152].”
• Protein–ligand docking: Current status and future challenges (2006, background): “Examples of empirical scoring functions include the Böhm’s scoring function (from LUDI),(57,58) F-Score,(16) ChemScore,(59) SCORE,(60,61) Fresno,(62) and X-SCORE.(63)”
• Docking and scoring in virtual screening for drug discovery: methods and applications (2004, neutral): “An exemplary implementation of consensus scoring is X-CSCOR”
• Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review (2012, neutral): “Common strategies include adding additional factors to account for solvation (10), DOCK (11), GoldScore (14), D-Score (11) Empirical LUDI (62), X-Score (63), PLP (64), ChemScore (65), FlexX/F-Score (12), GlideScore (13), Sur fl ex (15), QXP/Flo+ (66) Knowledge based PMF04 (67), kinase-PMF (68), DrugS”