Molecular design software
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We present a new method for design problems wherein the goal is to maximize or specify the value of one or more properties of… Expand Basic leucine-zipper (bZIP) transcription factors regulate many important cellular processes including tissue differentiation… Expand This new volume of Methods in Enzymology continues the legacy of this premier serial by containing quality chapters authored by… Expand We propose two novel Branch-and-Bound (BB) methods to efficiently solve exact MAPMRF inference on problems with a large number of… Expand For decades, researchers have been applying computer simulation to address problems in biology. However, many of these "grand… Expand Side chain positioning is an important subproblem of the general protein-structure-prediction problem, with applications in… Expand Dead-end elimination (DEE) is a powerful theorem for selecting optimal protein side-chain orientations from a large set of… Expand We present an analytical method for determining the designability of protein structures. We apply our method to the case of two… Expand The role of backbone flexibility in protein design was studied. First, the effect of explicit backbone motion on the selection of… Expand Heme proteins serve a wide variety of functions in the biological milieu.1 Our approach to the study of protein structure… Expand