Gaussian docking functions.
By Mark McGann, H. Almond, Anthony Nicholls, J. A. Grant, F. Brown. Biopolymers, 2003
442 citations recorded by the source corpus.
Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology
View Paper: https://www.semanticscholar.org/paper/3f70d7ac07eefd3b23e1fdf6042c1c2f03e13b6c
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
- Jürgen Bajorath
- Jack Adam Tuszynski
- K. Syed
- N. S. Pagadala
- Anthony Nicholls
- Didier Rognan
In Materials Chemistry
- Shengyou Huang
- Jürgen Bajorath
- Xiaoqin Zou
- Anthony Nicholls
- Robert P. Sheridan
- Jack Adam Tuszynski
- K. Syed
- N. S. Pagadala
In Molecular Biology
- Shengyou Huang
- Xiaoqin Zou
- Jürgen Bajorath
- Anthony Nicholls
- Jack Adam Tuszynski
- K. Syed
- N. S. Pagadala
- J. Rodrigo
Citations in the corpus
- Software for molecular docking: a review (2017, methodology): “The contact surface be-tween the ligand and the protein is further optimized by a Gaussian shape fitting function in FLOG (Miller et al. 1994), CLIX (Lawrence and Davis 1992), FRED (McGann et al. 2003), and PAS-Dock (Protein Alpha Shape-Dock) (Tøndel et al. 2006) to perform rigid body docking.”
- Advances and Challenges in Protein-Ligand Docking (2010, methodology): “Examples of docking programs that use shape matching include DOCK [1], FRED [44], FLOG [45], EUDOC [46], LigandFit [47], Surflex [48], MS-DOCK [49], and MDock [32,33].”
- Docking and scoring in virtual screening for drug discovery: methods and applications (2004, methodology): “The FRED program uses a Gaussian function for dockin”
- eHiTS: a new fast, exhaustive flexible ligand docking system. (2007, unknown): “FLOG[13], DOCK3[6] or FRED[16]).”