Results 81 to 90 of about 7,932,784 (254)
Adenosine triphosphate as a modulator of protein interactions and stability
FEBS Open Bio, EarlyView.ATP is best known as the cell's energy currency, but it also shapes how proteins fold, interact, aggregate and form biomolecular condensates. This review explains the emerging physical principles behind these effects, including weak binding to charged protein regions, magnesium‐dependent behaviour and concentration‐dependent control of protein ...
Shuyuan Tan, Robin Curtis
wiley +1 more source
Molecular Dynamics Simulations
, 2014 Molecular dynamics has evolved from a niche method mainly applicable to model systems into a cornerstone in molecular biology. It provides us with a powerful toolbox that enables us to follow and understand structure and dynamics with extreme detail ...
Lindahl, Erik,, Erik Lindahl
core +1 more source
Recent insights into the molecular mechanism of ubiquinol oxidation by cytochrome bc1
FEBS Open Bio, EarlyView.The review reflects on the mechanism of the catalytic reaction in cytochrome bc1: the electron bifurcation that involves the separation of two electrons derived from the quinol oxidation to opposite sides of the enzyme across the membrane. This review summarizes the long‐standing effort to understand the mechanism of quinol oxidation catalyzed by ...
Anna Wójcik‐Augustyn +2 more
wiley +1 more source
Frontiers in Chemistry, 2019 The inactive conformations of glucagon receptor (GCGR) are widely reported by crystal structures that support the precision structure for drug discovery of type 2 diabetes.
Qifeng Bai +6 more
doaj +1 more source
This repo contains data generated from the molecular dynamics (MD) simulations for the manuscript entitled: "A Topological Data Analytic Approach for Discovering Biophysical Signatures in Protein Dynamics".
Lorin Crawford
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Cytosine ribose flexibility in DNA : a combined NMR 13C spin relaxation and molecular dynamics simulation study [PDF]
, 2008 Using (13)C spin relaxation NMR in combination with molecular dynamic (MD) simulations, we characterized internal motions within double-stranded DNA on the pico- to nano-second time scale.
Elke Duchardt +10 more
core +2 more sources
FEBS Open Bio, EarlyView.This minireview explores fluorination as a key strategy to optimize therapeutic molecules and nanocarriers. By incorporating different fluorinated motifs—from single atoms to linear and branched chains—drug delivery, cellular uptake, and colloidal stability can be improved and fine‐tuned.
Martina Beccalli +2 more
wiley +1 more source
A nationwide student survey on biochemistry learning resources in Italy
FEBS Open Bio, EarlyView.We conducted a survey among Italian university students to investigate their preferred study materials for biochemistry. We then analyzed the collected data to identify these materials. This information may be valuable to the Biochemistry educational community. The graphical abstract was created with Claude (Opus 5.5; Anthropic, 2026).
Anna Marabotti +4 more
wiley +1 more source
Convergence and equilibrium in molecular dynamics simulations
Communications ChemistryMolecular dynamics is a powerful tool that has been long used for the simulation of biomolecules. It complements experiments, by providing detailed information about individual atomic motions.
Franco Ormeño, Ignacio J. General
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Design of Supercapacitor Electrodes Using Molecular Dynamics Simulations
Nano-Micro Letters, 2018 Electric double-layer capacitors (EDLCs) are advanced electrochemical devices for energy storage and have attracted strong interest due to their outstanding properties. Rational optimization of electrode–electrolyte interactions is of vital importance to
Zheng Bo +5 more
doaj +1 more source