Machine learning in enzyme engineering

S Mazurenko, Z Prokop, J Damborsky - ACS Catalysis, 2019 - ACS Publications
Enzyme engineering plays a central role in developing efficient biocatalysts for
biotechnology, biomedicine, and life sciences. Apart from classical rational design and …

lDDT: a local superposition-free score for comparing protein structures and models using distance difference tests

V Mariani, M Biasini, A Barbato, T Schwede - Bioinformatics, 2013 - academic.oup.com
Motivation: The assessment of protein structure prediction techniques requires objective
criteria to measure the similarity between a computational model and the experimentally …

Ab initio protein structure assembly using continuous structure fragments and optimized knowledge‐based force field

D Xu, Y Zhang - Proteins: Structure, Function, and …, 2012 - Wiley Online Library
Ab initio protein folding is one of the major unsolved problems in computational biology
owing to the difficulties in force field design and conformational search. We developed a …

Critical assessment of methods of protein structure prediction (CASP)—round x

J Moult, K Fidelis, A Kryshtafovych… - Proteins: Structure …, 2014 - Wiley Online Library
This article is an introduction to the special issue of the journal PROTEINS, dedicated to the
tenth Critical Assessment of Structure Prediction (CASP) experiment to assess the state of …

DeepSF: deep convolutional neural network for mapping protein sequences to folds

J Hou, B Adhikari, J Cheng - Bioinformatics, 2018 - academic.oup.com
Motivation Protein fold recognition is an important problem in structural bioinformatics.
Almost all traditional fold recognition methods use sequence (homology) comparison to …

Petabase-Scale Homology Search for Structure Prediction

S Lee, G Kim, EL Karin, M Mirdita… - Cold Spring …, 2024 - cshperspectives.cshlp.org
The recent CASP15 competition highlighted the critical role of multiple sequence alignments
(MSAs) in protein structure prediction, as demonstrated by the success of the top AlphaFold2 …

Continuous Automated Model EvaluatiOn (CAMEO)—Perspectives on the future of fully automated evaluation of structure prediction methods

X Robin, J Haas, R Gumienny… - Proteins: Structure …, 2021 - Wiley Online Library
Abstract The Continuous Automated Model EvaluatiOn (CAMEO) platform complements the
biennial CASP experiment by conducting fully automated blind evaluations of three …

[HTML][HTML] A comparative assessment and analysis of 20 representative sequence alignment methods for protein structure prediction

R Yan, D Xu, J Yang, S Walker, Y Zhang - Scientific reports, 2013 - nature.com
Protein sequence alignment is essential for template-based protein structure prediction and
function annotation. We collect 20 sequence alignment algorithms, 10 published and 10 …

Critical assessment of methods of protein structure prediction (CASP)—round IX

J Moult, K Fidelis, A Kryshtafovych… - Proteins: Structure …, 2011 - Wiley Online Library
This article is an introduction to the special issue of the journal PROTEINS, dedicated to the
ninth Critical Assessment of Structure Prediction (CASP) experiment to assess the state of …

Key aspects of the past 30 years of protein design

GM Meconi, IR Sasselli, V Bianco… - Reports on Progress …, 2022 - iopscience.iop.org
Proteins are the workhorse of life. They are the building infrastructure of living systems; they
are the most efficient molecular machines known, and their enzymatic activity is still …