Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening.

By T. Halgren, Robert B. Murphy, Richard A. Friesner, Hege S. Beard, L. Frye, W. T. Pollard, J. Banks. 2004

6,073 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Molecular Biology, Radiology, Nuclear Medicine and Imaging, Computational Chemistry & Drug Discovery

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Citations in the corpus

Molecular Docking and Structure-Based Drug Design Strategies (2015, methodology): “Empirical Knowledge-Based 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 [7”
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking (2022, methodology): “Traditional approaches for docking [1, 2] rely on scoring-functions that estimate the correctness of a proposed structure, or pose, and an optimization algorithm that searches for the global maximum of the scoring function.”
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction (2022, methodology): “Current in silico approaches for (3D) structural drug binding achieve high quality at a signiﬁcant computational cost: in our experiments the GNINA method (McNutt et al., 2021) takes on average 146 seconds for a single ligand-receptor pair, while the popular commercial software Glide (Halgren et al.”
Protein-ligand docking in the new millennium--a retrospective of 10 years in the field. (2013, methodology): “[154, 155] in 2004, Glide is a complete solution for protein-ligand docking that is now available as a module in the Schrodinger software suite, commercialized by the Schrodinger LLC.”
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”
New design strategies for antidepressant drugs (2013, background): “These challenges are presented because they are pursued by numerous academic [122,123] and industrial [124-126] research groups.”