A review of evolutionary algorithms for computing functional conformations of protein molecules

A Shehu - Computer-aided drug discovery, 2016 - Springer
The ubiquitous presence of proteins in chemical pathways in the cell and their key role in
many human disorders motivates a growing body of protein modeling studies to unravel the …

[HTML][HTML] Niching methods integrated with a differential evolution memetic algorithm for protein structure prediction

D Varela, J Santos - Swarm and Evolutionary Computation, 2022 - Elsevier
A memetic version between an evolutionary algorithm (differential evolution) and the local
search provided by protein fragment replacements was defined for protein structure …

Multi-objective stochastic search for sampling local minima in the protein energy surface

B Olson, A Shehu - Proceedings of the International Conference on …, 2013 - dl.acm.org
We present an evolutionary stochastic search algorithm to obtain a discrete representation
of the protein energy surface in terms of an ensemble of conformations representing local …

Generating, maintaining, and exploiting diversity in a memetic algorithm for protein structure prediction

M Garza-Fabre, SM Kandathil, J Handl… - Evolutionary …, 2016 - direct.mit.edu
Computational approaches to de novo protein tertiary structure prediction, including those
based on the preeminent “fragment-assembly” technique, have failed to scale up fully to …

Protein structure prediction in an atomic model with differential evolution integrated with the crowding niching method

D Varela, J Santos - Natural Computing, 2022 - Springer
A hybrid version between differential evolution and the fragment replacement technique was
defined for protein structure prediction. The coarse-grained atomic model of the Rosetta …

A memetic algorithm for 3D protein structure prediction problem

L Correa, B Borguesan, C Farfán… - … ACM transactions on …, 2016 - ieeexplore.ieee.org
Memetic Algorithms are population-based metaheuristics intrinsically concerned with
exploiting all available knowledge about the problem under study. The incorporation of …

A novel population-based optimization for multiple sequence alignment in protein sequencing

A Goswami, KK Dubey - Engineered Science, 2022 - espublisher.com
This paper proposes a novel Population-based optimization (PBO) approach to use in
conjunction with an upgraded migration operator. It can tackle multiple sequence alignment …

A multi-population memetic algorithm for the 3-D protein structure prediction problem

L de Lima Corrêa, M Dorn - Swarm and Evolutionary Computation, 2020 - Elsevier
In this paper, we present a knowledge-based memetic algorithm to tackle the three-
dimensional protein structure prediction problem without the explicit use of experimentally …

[HTML][HTML] Three-dimensional protein structure prediction based on memetic algorithms

L de Lima Corrêa, B Borguesan, MJ Krause… - Computers & Operations …, 2018 - Elsevier
Tertiary protein structure prediction is a challenging problem in Structural Bioinformatics and
is classified according to the computational complexity theory as a NP-hard problem. In this …

A sequential niche multimodal conformational sampling algorithm for protein structure prediction

YH Xia, CX Peng, XG Zhou, GJ Zhang - Bioinformatics, 2021 - academic.oup.com
Motivation Massive local minima on the protein energy landscape often cause traditional
conformational sampling algorithms to be easily trapped in local basin regions, because …