Ligand screening

High-throughput Screening NMR-based Ligand Screening Bioinformatics... 

G-protein-coupled receptors Bioinformatics NMR-Based Ligand Screening... 

There are now many examples of novel peptide transmitter systems that have been identified through orphan receptor ligand screening and greatly impacted the basic understanding of human physiology. Prime examples for the discovery of novel transmitter with therapeutic implications are the neuropeptides orphaninFQ/... 

Ligand screening experiments were conducted on the alkenes 1-pentene and pent-4-en-l-ol, because such substrates were inert to 3a-3c (15). Pentene lacks any polar or protic group and pentenol contains the alkene and OH separated by 3 carbons. The preliminary studies involved phosphines with both imidazol-2-yl and pyrid-2-yl substituents on P as well as t-Bu, i-Pr, Ph, and Me groups (16). From the screening, complex 1 derived from the phosphine ligand 4 (17) was identified as the most capable (in terms of both reaction rate and final yield) of promoting isomerization of both 1-pentene and pent-4-en-l-ol. 

OVERVIEW OF APPROXIMATE APPROACHES FOR MULTIPLE-LIGAND SCREENING... 

FREE ENERGY BASED MULTIPLE-LIGAND SCREENING METHODS -DYNAMICS AND CMC/MD... 

Enhancements to the Free Energy Based Multiple-Ligand Screening Methods... 

This internal energy can be estimated by using the trajectory of the free energy-based, multiple-ligand screening simulations... 

S. Banba, Z. Guo, and C. L. Brooks III, New free energy based methods for ligand binding from detailed structure-function to multiple-ligand screening, in Free Energy... 

This novel class of PDF inhibitors was discovered through the high-throughput screening (HTS) and the virtual ligand screening (VLS) of over 10000 members of a library composed of molecules selected from DuPont s corporate collection, and designed to represent the broad diversity of bio-... 

---