Online Program Home
  My Program

All Times EDT

Abstract Details

Activity Number: 300 - The Appeal of Quantum Computing in Statistical Science
Type: Topic Contributed
Date/Time: Wednesday, August 5, 2020 : 10:00 AM to 11:50 AM
Sponsor: Quantum Computing in Statistics and Machine Learning
Abstract #313045
Title: Designing Peptides on a Quantum Computer
Author(s): Hans Melo*
Companies: Menten Al, Inc
Keywords: optimization; quantum computing; drug-discovery; pharmaceutical; chemical; biochemistry

We investigated the use of quantum hardware as a potential alternative for solving conformational search problems in protein design. We developed an algorithm, the qPacker, to frame the side-chain rotamer search as a constrained binary optimization problem and solve it on two types of quantum devices: quantum annealers (e.g. D-Wave), and gate-based quantum computers (e.g. Rigetti). The qPacker algorithm was successful in finding low energy solutions for side-chain conformational optimization problems of varying sizes, and in many cases yielding results superior to Rosetta’s Monte Carlo/simulated annealing methods. These promising results foreshadow an exciting new route for emerging quantum computing technologies in synthetic biology and biochemistry with a wide range of applications in the pharmaceutical and chemical industries.

Authors who are presenting talks have a * after their name.

Back to the full JSM 2020 program