Abstract: Presented herein, in certain aspects, are conjugates capable of binding phosphatidylserine (PS) and toll-like receptors (TLRs), and their uses for the treatment of selected diseases and disorders, such as cancer.

Abstract: A computational method for the discovery and design of therapeutic compounds is provided. The methods used rely on an accurate inter-conversion of three-dimensional molecular spatial information between two alternative orthogonal representations. These methods enhance the accuracy for determining ab initio phases of macromolecular crystallographic structures at any desired experimental resolution limit. The computational technique employed utilizes a software program and associated algorithms. This method is an improvement over the current methods of drug discovery which often employs a random search through a large library of synthesized chemical compounds or protein molecules for bio-activity related to a specific therapeutic use.