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Method filter: Virtual Screening Enumerated Libraries

Virtual Screening
Find new chemical series faster and reduce the cost of wet screening
Ligand-based Virtual Screening
3D screening of commercially available compounds
Combating antibiotic resistance through ligand- and structure-based virtual screening
Bioisosteric Replacement as a Tool in Anti-HIV Drug Design
Bioisosteric Replacement as a Tool in Anti-HIV Drug Design Alexej Dick, Simon Cocklin PHARMACEUTICALS | 2020
Structural basis for CCR6 modulation by allosteric antagonists
Nature Communications | 2024 Wasilko, D.J., Gerstenberger, B.S., Farley, K.A. et al. Structural basis for CCR6 modulation by allosteric antagonists....
Stabilization of the open conformation of Insulin-Regulated Aminopeptidase by a novel substrate-selective small molecule inhibitor
Protein Science | 2024 Mpakali A., Georgaki G., Buson A., Findlay A.D., et al. Stabilization of the open conformation οf insulin-regulated aminopeptidase...
虚拟筛选——从CB1结合剂中筛选出对CB2具有选择性的先导化合物
Keverne Louison, Scott Midgley† †Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK. 前言 大麻素（Cannabinoid，CB）受体是一类G蛋白偶联受体（GPCR），在多个治疗领域仍然是活跃的研究领域。选择性靶向...
Virtual screening – Identifying leads with selectivity for Cannabinoid receptor 2 from Cannabinoid 1 binders
Keverne Louison, Scott Midgley† †Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK. Introduction...
Avoiding chemotype bias in virtual screening diverse chemical space exploration using 3D electrostatic field and shape descriptors
Driving Optimization of Antibiotic Drug Design
Since its heyday in the 1950s, the discovery of new classes of antibiotics has decreased, dropping to zero in the 1990s and not recovering since...
Prioritizing the Most Promising Virtual Screening Hits
Fast-tracking drug repurposing research with virtual screening solutions
The Australian Program for Drug Repurposing for Treatment Resistant Ovarian Cancer is a five-year program conducting research into the repositioning...