Inverse statistical problems: from the inverse Ising problem to data science

HC Nguyen, R Zecchina, J Berg - Advances in Physics, 2017 - Taylor & Francis
Inverse problems in statistical physics are motivated by the challenges of 'big data'in
different fields, in particular high-throughput experiments in biology. In inverse problems, the …

Generating functional protein variants with variational autoencoders

A Hawkins-Hooker, F Depardieu, S Baur… - PLoS computational …, 2021 - journals.plos.org
The vast expansion of protein sequence databases provides an opportunity for new protein
design approaches which seek to learn the sequence-function relationship directly from …

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 …

3D RNA and functional interactions from evolutionary couplings

C Weinreb, AJ Riesselman, JB Ingraham, T Gross… - Cell, 2016 - cell.com
Non-coding RNAs are ubiquitous, but the discovery of new RNA gene sequences far
outpaces the research on the structure and functional interactions of these RNA gene …

Co-evolution of interacting proteins through non-contacting and non-specific mutations

D Ding, AG Green, B Wang, TLV Lite… - Nature ecology & …, 2022 - nature.com
Proteins often accumulate neutral mutations that do not affect current functions but can
profoundly influence future mutational possibilities and functions. Understanding such …

Modeling sequence-space exploration and emergence of epistatic signals in protein evolution

M Bisardi, J Rodriguez-Rivas… - … biology and evolution, 2022 - academic.oup.com
During their evolution, proteins explore sequence space via an interplay between random
mutations and phenotypic selection. Here, we build upon recent progress in reconstructing …

Evolutionary divergence in the conformational landscapes of tyrosine vs serine/threonine kinases

J Gizzio, A Thakur, A Haldane, RM Levy - Elife, 2022 - elifesciences.org
Inactive conformations of protein kinase catalytic domains where the DFG motif has a “DFG-
out” orientation and the activation loop is folded present a druggable binding pocket that is …

Infer global, predict local: Quantity-relevance trade-off in protein fitness predictions from sequence data

L Posani, F Rizzato, R Monasson… - PLoS Computational …, 2023 - journals.plos.org
Predicting the effects of mutations on protein function is an important issue in evolutionary
biology and biomedical applications. Computational approaches, ranging from graphical …

Inferring protein fitness landscapes from laboratory evolution experiments

S D'Costa, EC Hinds, CR Freschlin… - PLoS computational …, 2023 - journals.plos.org
Directed laboratory evolution applies iterative rounds of mutation and selection to explore
the protein fitness landscape and provides rich information regarding the underlying …

A systematic analysis of regression models for protein engineering

R Michael, J Kæstel-Hansen… - PLOS Computational …, 2024 - journals.plos.org
To optimize proteins for particular traits holds great promise for industrial and
pharmaceutical purposes. Machine Learning is increasingly applied in this field to predict …