Three Dimensional Projection Environment for Molecular Design and Surgical Simulation

摘要

We hypothesized in Aim 1 that docking of three-dimensional (3D) projections of potential target binding agents with 3D projections of macromolecular disease targets visualized on a computer with touch and feel feedback will enable identification of optimal agent designs, and culling of suboptimal agent designs, prior to synthesis. We found that direct measurements of cellular uptake of two different EGF fragments, EGF20-31 and EGF32-48, agreed with the computer predictions of no uptake by EGF20-31, and significant uptake by EGF32-48. This observation is consistent with our first hypothesis. We hypothesized in Aim 2 that 3D FDG PET images of patients superimposed on 3D anatomical images of patients visualized on a large computer display would enable improved preoperative planning, because the FDG PET images revealed specific sites of active disease. We found that a set of 6 experienced surgeons found that the final 3D version was accurate, useful, and worth applying in practice. This observation is consistent with our second hypothesis.