LigBuilder: A Multi-Purpose Program for Structure-Based Drug Design
By Renxiao Wang, Yingduo Gao, Luhua Lai. 2000
282 citations recorded by the source corpus.
Subfields: Computational Theory and Mathematics, 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
- Markus Hartenfeller
- Gisbert Schneider
- Jocelyn Sunseri
- Glaucius Oliva
- L. Ferreira
- Ricardo N Dos Santos
- Jens Meiler
- F. Silva-Jr
In Molecular Biology
- Markus Hartenfeller
- Gisbert Schneider
- Jocelyn Sunseri
- Glaucius Oliva
- L. Ferreira
- Ricardo N Dos Santos
- Jens Meiler
- F. Silva-Jr
In Computational Chemistry & Drug Discovery
- F. Silva-Jr
- Paula Jofily
- Gisbert Schneider
- Glaucius Oliva
- Sandeepkumar Kothiwale
- David Ryan Koes
- Jens Meiler
- E. W. Lowe
Citations in the corpus
- Molecular Docking and Structure-Based Drug Design Strategies (2015, background): “…[154,155] HypoGen [141] ALADDIN [156] HypoRefine [141] RAPID [157] GASP [142,143] DANTE [158] DiscoTech [143,144] APOLLO [159] GALAHAD [143,145] CLEW [160] LigandScout [146,147] MPHIL [161] MOE [148,149] GAMMA [162] PHASE [150,151] SCAMPI [163] XED [152,153] Apex-3D [164] LigBuilder [165,166]”
- Key Topics in Molecular Docking for Drug Design (2019, methodology): “Recently, Park et al. have been able to design nanomolar-range inhibitors for the protein Glycogen Synthase Kinase-3 β, using AutoDock [32] as the initial tool to perform virtual screening of fragment libraries in three independent subsites and LigBuilder [160] as the tool to connect a series of sel”
- Enabling future drug discovery by de novo design (2011, background): “52 PSO algorithms mimic the behavior of real swarms of animals searching, e.g., for food resources.”
- AutoGrow: A Novel Algorithm for Protein Inhibitor Design (2009, unknown): “fragment-based growing with an evolutionary algorithm, including Chemical Genesis (53), LEA (54), and LigBuilder (55), but these algo-”
- Pharmit: interactive exploration of chemical space (2016, methodology): “Al-ternatively, a pharmacophore query can be initialized using pharmacophore files in MOE (18), LigBuilder (19), Ligand-Scout (20), PharmaGist (21) or Pharmer (22) query formats.”
- Computational Methods in Drug Discovery (2014, methodology): “LigBuilder (Wang et al., 2000b) builds ligands in a step by step fashion using a library of fragments.”