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Protein binding often involves conformational changes. Important questions are whether a conformational change occurs prior to a binding event ('conformational selection') or after a binding event ('induced fit'), and how conformational…

Biomolecules · Quantitative Biology 2016-09-22 Fabian Paul , Thomas R. Weikl

The binding of a ligand molecule to a protein is often accompanied by conformational changes of the protein. A central question is whether the ligand induces the conformational change (induced-fit), or rather selects and stabilizes a…

Biomolecules · Quantitative Biology 2008-09-04 Thomas R. Weikl , Carola von Deuster

Protein binding and function often involves conformational changes. Advanced NMR experiments indicate that these conformational changes can occur in the absence of ligand molecules (or with bound ligands), and that the ligands may 'select'…

Biomolecules · Quantitative Biology 2014-09-10 Thomas R. Weikl , Fabian Paul

Single molecule and NMR measurements of protein dynamics increasingly uncover the complexity of binding scenarios. Here we describe an extended conformational selection model which embraces a repertoire of selection and adjustment…

Biomolecules · Quantitative Biology 2010-10-05 Peter Csermely , Robin Palotai , Ruth Nussinov

Protein function often involves changes between different conformations. Central questions are how these conformational changes are coupled to the binding or catalytic processes during which they occur, and how they affect the catalytic…

Biomolecules · Quantitative Biology 2012-05-11 Thomas R. Weikl , David D. Boehr

To perform recognition, molecules must locate and specifically bind their targets within a noisy biochemical environment with many look-alikes. Molecular recognition processes, especially the induced-fit mechanism, are known to involve…

Biomolecules · Quantitative Biology 2010-07-27 Yonatan Savir , Tsvi Tlusty

A central question is how the conformational changes of proteins affect their function and the inhibition of this function by drug molecules. Many enzymes change from an open to a closed conformation upon binding of substrate or inhibitor…

Biomolecules · Quantitative Biology 2013-02-19 Thomas R. Weikl , Bahram Hemmateenejad

The minimal 3-state scheme of kinetic cooperativity of monomeric enzymes is subjected to detailed analysis. The rigorous criteria of positive cooperativity and its sigmoidal version are established in terms of the system parameters (rate…

Biological Physics · Physics 2023-10-25 Leonid Christophorov

The discerning behavior of living systems relies on accurate interactions selected from the lot of molecular collisions occurring in the cell. To ensure the reliability of interactions, binding partners are classically envisioned as finely…

Molecular Networks · Quantitative Biology 2016-09-28 Denis Michel , Benjamin Boutin , Philippe Ruelle

The contribution to an organism's phenotype from one genetic locus may depend upon the status of other loci. Such epistatic interactions among loci are now recognized as fundamental to shaping the process of adaptation in evolving…

Populations and Evolution · Quantitative Biology 2012-12-18 Jeremy A. Draghi , Joshua B. Plotkin

A common assumption in evolutionary thought is that adaptation drives an increase in biological complexity. However, the rules governing evolution of complexity appear more nuanced. Evolution is deeply connected to learning, where…

Populations and Evolution · Quantitative Biology 2025-08-06 Hagai Rappeport , Mor Nitzan

Polymerases select nucleotides before incorporating them for chemical synthesis during gene replication or transcription. How the selection proceeds stepwise efficiently to achieve sufficiently high fidelity and speed is essential for…

Biological Physics · Physics 2017-01-19 Jin Yu

In a conformational nonequilibrium steady state (cNESS), enzyme turnover is modulated by the underlying conformational dynamics. Based on a discrete kinetic network model, we use the integrated probability flux balance method to derive the…

Biological Physics · Physics 2017-05-17 D. Evan Piephoff , Jianlan Wu , Jianshu Cao

Biological molecular machines are proteins that operate under isothermal conditions hence are referred to as free energy transducers. They can be formally considered as enzymes that simultaneously catalyze two chemical reactions: the free…

Biological Physics · Physics 2014-02-05 Michal Kurzynski , Mieczyslaw Torchala , Przemyslaw Chelminiak

In recent past, experiments and simulations have suggested that apart from the solvent friction, friction arising from the protein itself plays an important role in protein folding by affecting the intra-chain loop formation dynamics. This…

Soft Condensed Matter · Physics 2014-06-25 Nairhita Samanta , Jayanta Ghosh , Rajarshi Chakrabarti

Observations of single epidermal cells on flat adhesive substrates have revealed two distinct morphological and functional states, namely a non-migrating symmetric unpolarized state and a migrating asymmetric polarized state. These states…

Biological Physics · Physics 2010-04-14 Wolfgang Alt , Martin Bock , Christoph Möhl

A comparison is made between conventional Michaelis-Menten kinetics and two models that take into account the duration of the conformational changes that take place at the molecular level during the catalytic cycle of a monomer. The models…

Molecular Networks · Quantitative Biology 2007-12-05 José M. Albornoz , Antonio Parravano

An autocatalytic pattern matching polymer system is studied as an abstract model for chemical ecosystem evolution. Highly ordered populations with particular sequence patterns appear spontaneously out of a vast number of possible states.…

Molecular Networks · Quantitative Biology 2015-06-17 Shinpei Tanaka , Harold Fellermann , Steen Rasmussen

We review the mechanism and consequences of the "bridging-induced attraction", a generic biophysical principle which underpins some existing models for chromosome organisation in 3-D. This attraction, which was revealed in polymer…

Soft Condensed Matter · Physics 2020-10-13 Chris A. Brackley , Davide Marenduzzo

We investigate theoretically the physics of diffusion-limited intramolecular polymer reactions. The present work completes and goes beyond a previous study [Nat. Chem. 4, 268 (2012)] that showed that the distribution of the polymer…

Statistical Mechanics · Physics 2015-06-12 T. Guérin , O. Bénichou , R. Voituriez
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