title: Automated protein design: Landmarks and operational principles.
abstract: Protein design has an eventful history spanning over three decades, with handful of success stories reported, and numerous failures not reported. Design practices have benefited tremendously from improvements in computer hardware and advances in scientific algorithms. Though protein folding problem still remains unsolved, the possibility of having multiple sequence solutions for a single fold makes protein design a more tractable problem than protein folding. One of the most significant advancement in this area is the implementation of automated design algorithms on pre-defined templates or completely new folds, optimized through deterministic and heuristic search algorithms. This progress report provides a succinct presentation of important landmarks in automated design attempts, followed by brief account of operational principles in automated design methods.
authors.affiliation: Department of Chemistry, University of Toronto, ON, M5S3H6, Canada. Electronic address: anil.kumar@u.toronto.ca.
authors.forename: Anil
authors.initials: A
authors.lastname: Kumar
authors.affiliation: Sun Pharma, Vadodara, Gujarat, 390020, India.
authors.forename: Ranjit
authors.initials: R
authors.lastname: Ranbhor
authors.affiliation: N.B. Mehta Science College, Bordi, India.
authors.forename: Kirti
authors.initials: K
authors.lastname: Patel
authors.affiliation: Department of Biosciences and Bioengineering, Indian Institute of Technology Guwahati, 781039, India. Electronic address: vibin@iitg.ernet.in.
authors.forename: Vibin
authors.initials: V
authors.lastname: Ramakrishnan
authors.affiliation: Department of Chemistry, Indian Institute of Technology, Bombay, 400076, India.
authors.forename: Susheel
authors.initials: S
authors.lastname: Durani
mesh_terms: D000818:Animals; D001331:Automation; D019295:Computational Biology / Q000379:methods*; D015195:Drug Design; D006801:Humans; D011506:Proteins / Q000138:chemical synthesis / Q000737:chemistry
chemical_list: D011506:Proteins