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 …
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 …
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
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 …
from the pair correlations observed in a multiple sequence alignment (MSA) of a protein …
3D RNA and functional interactions from evolutionary couplings
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 …
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
Proteins often accumulate neutral mutations that do not affect current functions but can
profoundly influence future mutational possibilities and functions. Understanding such …
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 …
mutations and phenotypic selection. Here, we build upon recent progress in reconstructing …
Evolutionary divergence in the conformational landscapes of tyrosine vs serine/threonine kinases
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 …
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
Predicting the effects of mutations on protein function is an important issue in evolutionary
biology and biomedical applications. Computational approaches, ranging from graphical …
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 …
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 …
pharmaceutical purposes. Machine Learning is increasingly applied in this field to predict …