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The main chain dihedral angles play an important role to decide the protein conformation. The native states of a protein can be regard as an ensemble of a lot of similar conformations, in different conformations the main chain dihedral…

Biomolecules · Quantitative Biology 2016-07-14 Shiyang Long , Pu Tian

A molecular understanding of how protein function is related to protein structure will require an ability to understand large conformational changes between multiple states. Unfortunately these states are often separated by high free energy…

Biological Physics · Physics 2011-08-08 Juan R. Perilla , Thomas B. Woolf

Proteins must bind to specific other proteins in vivo in order to function. The proteins must bind only to one or a few other proteins of the of order a thousand proteins typically present in vivo. Using a simple model of a protein,…

Biomolecules · Quantitative Biology 2007-05-23 Richard P. Sear

The worldwide surge of multiresistant microbial strains has propelled the search for alternative treatment options. The study of Protein-Protein Interactions (PPIs) has been a cornerstone in the clarification of complex physiological and…

Protein structures are a very special class among all possible structures. It was suggested that a ``designability principle'' plays a crucial role in nature's selection of protein sequences and structures. Here we provide a theoretical…

Statistical Mechanics · Physics 2009-10-30 Hao Li , Chao Tang , Ned S. Wingreen

The coding space of protein sequences is shaped by evolutionary constraints set by requirements of function and stability. We show that the coding space of a given protein family--the total number of sequences in that family--can be…

Biomolecules · Quantitative Biology 2020-11-20 Jacopo Marchi , Ezequiel A. Galpern , Rocio Espada , Diego U. Ferreiro , Aleksandra M. Walczak , Thierry Mora

Advances in sequencing have revealed that each individual carries about 10,000 missense variants. For the vast majority, we do not know what the functional consequences - if any - will be. Further, mechanistic insight, such as structural…

Biomolecules · Quantitative Biology 2025-07-24 Sven Larsen-Ledet , Aleksandra Panfilova , Amelie Stein

In human cells, estrogenic signals induce cyclical association and dissociation of specific proteins with the DNA in order to activate transcription of estrogen-responsive genes. These oscillations can be modeled by assuming a large number…

Cell Behavior · Quantitative Biology 2007-05-23 Vincent Lemaire , Chiu Fan Lee , Jinzhi Lei , Raphael Metivier , Leon Glass

Biomolecular condensates composed of intrinsically disordered proteins (IDPs) are vital for proper cellular function, and their dysfunction is associated with diseases including neurodegeneration and cancer. Despite their biological…

Soft Condensed Matter · Physics 2025-02-21 Luke K. Davis , Andrew J. Baldwin , Philip Pearce

Network-based methods are playing an increasingly important role in drug design. Our main question in this paper was whether the efficiency of drug target proteins to spread perturbations in the human interactome is larger if the binding…

Molecular Networks · Quantitative Biology 2015-05-14 Aron R. Perez-Lopez , Kristof Z. Szalay , Denes Turei , Dezso Modos , Katalin Lenti , Tamas Korcsmaros , Peter Csermely

Deep neural networks such as AlphaFold and RoseTTAFold predict remarkably accurate structures of proteins compared to other algorithmic approaches. It is known that biologically small perturbations in the protein sequence do not lead to…

Biomolecules · Quantitative Biology 2021-09-21 Sumit Kumar Jha , Arvind Ramanathan , Rickard Ewetz , Alvaro Velasquez , Susmit Jha

Protein folding, peptide aggregation and crystallization, as well as adsorption of molecules on soft or solid substrates have an essential feature in common: In all these processes, structure formation is guided by a collective, cooperative…

Statistical Mechanics · Physics 2009-02-12 Michael Bachmann , Wolfhard Janke

The formation of quasi-spherical cages from protein building blocks is a remarkable self-assembly process in many natural systems, where a small number of elementary building blocks are assembled to build a highly symmetric icosahedral…

Predicting which proteins interact together from amino-acid sequences is an important task. We develop a method to pair interacting protein sequences which leverages the power of protein language models trained on multiple sequence…

Biomolecules · Quantitative Biology 2024-12-30 Umberto Lupo , Damiano Sgarbossa , Anne-Florence Bitbol

In this paper, we quantify weak protein protein interactions in solution using Cross-Interaction Chromatography (CIC) and Surface Plasmon Resonance (SPR) and demonstrate that they can be modulated by the addition of free amino acids. With…

Sequence set is a widely-used type of data source in a large variety of fields. A typical example is protein structure prediction, which takes an multiple sequence alignment (MSA) as input and aims to infer structural information from it.…

Biomolecules · Quantitative Biology 2019-06-27 Fusong Ju , Jianwei Zhu , Guozheng Wei , Qi Zhang , Shiwei Sun , Dongbo Bu

The self-organization of proteins into enriched compartments and the formation of complex patterns are crucial processes for life on the cellular level. Liquid-liquid phase separation is one mechanism for forming such enriched compartments.…

Soft Condensed Matter · Physics 2025-04-07 Antonia Winter , Yuhao Liu , Alexander Ziepke , George Dadunashvili , Erwin Frey

Cells contain multiple condensates which spontaneously form due to the heterotypic interactions between their components. Although the proteins and disordered region sequences that are responsible for condensate formation have been…

Soft Condensed Matter · Physics 2024-06-25 Kyosuke Adachi , Kyogo Kawaguchi

All known terrestrial proteins are coded as continuous strings of ~20 amino acids. The patterns formed by the repetitions of elements in groups of finite sequences describes the natural architectures of protein families. We present a method…

Biomolecules · Quantitative Biology 2018-07-30 Pablo Turjanski , Diego U. Ferreiro

The network paradigm is increasingly used to describe the dynamics of complex systems. Here we review the current results and propose future development areas in the assessment of perturbation waves, i.e. propagating structural changes in…

Molecular Networks · Quantitative Biology 2009-04-23 Miklos A. Antal , Csaba Bode , Peter Csermely