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We present a sequence-based probabilistic formalism that directly addresses co-operative effects in networks of interacting positions in proteins, providing significantly improved contact prediction, as well as accurate quantitative…

Quantitative Methods · Quantitative Biology 2012-07-12 Alan Lapedes , Bertrand Giraud , Christopher Jarzynski

Proteins need to selectively interact with specific targets among a multitude of similar molecules in the cell. But despite a firm physical understanding of binding interactions, we lack a general theory of how proteins evolve high…

Biomolecules · Quantitative Biology 2022-09-28 John M McBride , Jean-Pierre Eckmann , Tsvi Tlusty

Membrane phase behavior induced by the binding of curvature-inducing proteins is studied by a combination of analytical and numerical approaches. In thermal equilibrium under the detailed balance between binding and unbinding, the membrane…

Soft Condensed Matter · Physics 2022-01-03 Quentin Goutaland , Frédéric van Wijland , Jean-Baptiste Fournier , Hiroshi Noguchi

A given neural network in the brain is involved in many different tasks. This implies that, when considering a specific task, the network's connectivity contains a component which is related to the task and another component which can be…

Neurons and Cognition · Quantitative Biology 2021-03-17 Friedrich Schuessler , Alexis Dubreuil , Francesca Mastrogiuseppe , Srdjan Ostojic , Omri Barak

Is protein secondary structure primarily determined by local interactions between residues closely spaced along the amino acid backbone, or by non-local tertiary interactions? To answer this question we have measured the entropy densities…

Biomolecules · Quantitative Biology 2007-05-23 Gavin E. Crooks , Steven E. Brenner

Protein-protein binding enables orderly and lawful biological self-organization, and is therefore considered a miracle of nature. Protein-protein binding is steered by electrostatic forces, hydrogen bonding, van der Waals force, and…

Biomolecules · Quantitative Biology 2022-02-23 Lin Yang , Shuai Guo , Chengyu Hou , Chencheng Liao , Jiacheng Li , Liping Shi , Xiaoliang Ma , Shenda Jiang , Bing Zheng , Yi Fang , Lin Ye , Xiaodong He

Sequence heterogeneity broadens the binding transition of a polymer onto a linear or planar substrate. This effect is analyzed in a real-space renormalization group scheme designed to capture the statistics of rare events. In the strongly…

Statistical Mechanics · Physics 2009-10-31 Lei-Han Tang , Hugues Chaté

Inherent structure theory is used to discover strong connections between simple characteristics of protein structure and the energy landscape of a Go model. The potential energies and vibrational free energies of inherent structures are…

Biomolecules · Quantitative Biology 2009-11-13 Dengming Ming , Marian Anghel , Michael E. Wall

We propose a novel approach for predicting protein-peptide interactions using a bi-modal transformer architecture that learns an inter-facial joint distribution of residual contacts. The current data sets for crystallized protein-peptide…

Biomolecules · Quantitative Biology 2023-06-02 Justin Diamond , Markus Lill

The spatial linear mixed model (SLMM) consists of fixed and spatial random effects that may be linearly dependent. Partially motivated as a means to address potential issues with confounding, the Restricted spatial regression (RSR) model…

Methodology · Statistics 2026-03-24 Jonathan R. Bradley

Protein structures in nature often exhibit a high degree of regularity (secondary structures, tertiary symmetries, etc.) absent in random compact conformations. We demonstrate in a simple lattice model of protein folding that structural…

Condensed Matter · Physics 2009-10-28 Hao Li , Robert Helling , Chao Tang , Ned Wingreen

Restricted Boltzmann Machines are generative models that consist of a layer of hidden variables connected to another layer of visible units, and they are used to model the distribution over visible variables. In order to gain a higher…

Computer Vision and Pattern Recognition · Computer Science 2023-06-20 Arkaitz Bidaurrazaga , Aritz Pérez , Roberto Santana

A protein residue network (PRN) is a network of interacting amino acids within a protein. We describe characteristics of a sparser, highly central and more volatile sub-network of a PRN called the short-cut network (SCN), as a protein folds…

Molecular Networks · Quantitative Biology 2015-08-13 Susan Khor

Constraint Satisfaction Problem (CSP) is a fundamental algorithmic problem that appears in many areas of Computer Science. It can be equivalently stated as computing a homomorphism $\mbox{$\bR \rightarrow \bGamma$}$ between two relational…

Computational Complexity · Computer Science 2015-10-27 Vladimir Kolmogorov , Michal Rolinek , Rustem Takhanov

This paper deals with non-parametric density estimation on $\bR^2$ from i.i.d observations. It is assumed that after unknown rotation of the coordinate system the coordinates of the observations are independent random variables whose…

Statistics Theory · Mathematics 2020-02-26 Lepski O. V. , Rebelles G

We analyze protein-protein interaction networks for six different species under the framework of random matrix theory. Nearest neighbor spacing distribution of the eigenvalues of adjacency matrices of the largest connected part of these…

Molecular Networks · Quantitative Biology 2014-05-20 Ankit Agrawal , Camellia Sarkar , Sanjiv K. Dwivedi , Nitesh Dhasmana , Sarika Jalan

The thermodynamic binding networks (TBN) model is a tool for studying engineered molecular systems. The TBN model allows one to reason about their behavior through a simplified abstraction that ignores details about molecular composition,…

Emerging Technologies · Computer Science 2021-05-13 David Haley , David Doty

Many biological tissues feature a heterogeneous network of fibers whose tensile and bending rigidity contribute substantially to these tissues' elastic properties. Rigidity percolation has emerged as a important paradigm for relating these…

The microbiome constitutes a complex microbial ecology of interacting components that regulates important pathways in the host. Measurements of microbial abundances are key to learning the intricate network of interactions amongst microbes.…

Methodology · Statistics 2024-06-17 Veronica Vinciotti , Ernst Wit , Francisco Richter

We study genetic networks that produce many species of non-coding RNA molecules that are present at a moderate density, as typically exists in the cell. The associations of the many species of these RNA are modeled physically, taking into…

Genomics · Quantitative Biology 2014-09-08 J. M. Deutsch