Desktop vs cloud-based StarDrop: Which deployment option is right for me?
Desktop StarDrop Desktop StarDrop runs directly on your local Windows or Mac systems, operating within your existing IT infrastructure. For…
Rapamycin, a well-known macrocyclic natural product with myriad biological activities, has been the subject of intense study since its first isolation and characterisation over five decades ago.
Rapamycin has been found to adopt a single conformation in the solid state (both when protein bound and uncomplexed) and exists as a mixture of two conformations in solution. Early work established that the major conformer in solution is the trans amide isomer but left the minor conformer mostly uncharacterised. Since that time, it has been widely accepted that the minor conformer of rapamycin is the cis amide, based solely on analogy to FK-506, another potent immunosuppressive compound with some shared key structural elements.
To address this long-standing and unresolved question, the solution structure of the minor conformer of rapamycin was investigated using a combination of NMR techniques and computational methods and determined to be a trans amide species with rotation about the ester linkage.
Desktop StarDrop Desktop StarDrop runs directly on your local Windows or Mac systems, operating within your existing IT infrastructure. For…
The QuanSA method To define a ‘pocket field’, an initial alignment of all training molecules is constructed and function parameters…
What is the similarity principle? The similarity principle is one of the key concepts in drug design. It implies that…