[HTML][HTML] Hybrid methods for combined experimental and computational determination of protein structure

JT Seffernick, S Lindert - The Journal of chemical physics, 2020 - pubs.aip.org
Knowledge of protein structure is paramount to the understanding of biological function,
develo** new therapeutics, and making detailed mechanistic hypotheses. Therefore …

Potts Hamiltonian models of protein co-variation, free energy landscapes, and evolutionary fitness

RM Levy, A Haldane, WF Flynn - Current opinion in structural biology, 2017 - Elsevier
Potts Hamiltonian models of protein sequence co-variation are statistical models constructed
from the pair correlations observed in a multiple sequence alignment (MSA) of a protein …

Assessment of contact predictions in CASP12: co‐evolution and deep learning coming of age

J Schaarschmidt, B Monastyrskyy… - Proteins: Structure …, 2018 - Wiley Online Library
Following up on the encouraging results of residue‐residue contact prediction in the
CASP11 experiment, we present the analysis of predictions submitted for CASP12. The …

Learning protein constitutive motifs from sequence data

J Tubiana, S Cocco, R Monasson - Elife, 2019 - elifesciences.org
Statistical analysis of evolutionary-related protein sequences provides information about
their structure, function, and history. We show that Restricted Boltzmann Machines (RBM) …

Fast pseudolikelihood maximization for direct-coupling analysis of protein structure from many homologous amino-acid sequences

M Ekeberg, T Hartonen, E Aurell - Journal of Computational Physics, 2014 - Elsevier
Direct-coupling analysis is a group of methods to harvest information about coevolving
residues in a protein family by learning a generative model in an exponential family from …

Interacting networks of resistance, virulence and core machinery genes identified by genome-wide epistasis analysis

MJ Skwark, NJ Croucher, S Puranen… - PLoS …, 2017 - journals.plos.org
Recent advances in the scale and diversity of population genomic datasets for bacteria now
provide the potential for genome-wide patterns of co-evolution to be studied at the resolution …

New encouraging developments in contact prediction: Assessment of the CASP 11 results

B Monastyrskyy, D D'Andrea, K Fidelis… - Proteins: Structure …, 2016 - Wiley Online Library
This article provides a report on the state‐of‐the‐art in the prediction of intra‐molecular
residue‐residue contacts in proteins based on the assessment of the predictions submitted …

ACE: adaptive cluster expansion for maximum entropy graphical model inference

JP Barton, E De Leonardis, A Coucke, S Cocco - Bioinformatics, 2016 - academic.oup.com
Motivation: Graphical models are often employed to interpret patterns of correlations
observed in data through a network of interactions between the variables. Recently …

An overview of comparative modelling and resources dedicated to large-scale modelling of genome sequences

SD Lam, S Das, I Sillitoe, C Orengo - Biological Crystallography, 2017 - journals.iucr.org
Computational modelling of proteins has been a major catalyst in structural biology.
Bioinformatics groups have exploited the repositories of known structures to predict high …

Inter-protein sequence co-evolution predicts known physical interactions in bacterial ribosomes and the Trp operon

C Feinauer, H Szurmant, M Weigt, A Pagnani - PloS one, 2016 - journals.plos.org
Interaction between proteins is a fundamental mechanism that underlies virtually all
biological processes. Many important interactions are conserved across a large variety of …