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Torque, chemistry and efficiency in molecular motors: a study of the rotary-chemical coupling in F1-ATPaseMetals in cyanobacteria: analysis of the copper, nickel, cobalt and arsenic homeostasis mechanismsReview: Translational GTPasesEffects of protonation on the hydrolysis of triphosphate in vacuum and the implications for catalysis by nucleotide hydrolyzing enzymesMultiscale Modeling of Biological Functions: From Enzymes to Molecular Machines (Nobel Lecture)Empirical valence bond simulations of the chemical mechanism of ATP to cAMP conversion by anthrax edema factor.The alkaline hydrolysis of sulfonate esters: challenges in interpreting experimental and theoretical dataSupramolecular phosphate transfer catalysis by pillar[5]arene.Simulating Protein Mediated Hydrolysis of ATP and Other Nucleoside Triphosphates by Combining QM/MM Molecular Dynamics with Advances in Metadynamics.A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution.Ribosome-induced tuning of GTP hydrolysis by a translational GTPaseFinding Chemical Reaction Paths with a Multilevel Preconditioning Protocol.Resolving apparent conflicts between theoretical and experimental models of phosphate monoester hydrolysisThe energy landscape of adenylate kinase during catalysis.The adaptive buffered force QM/MM method in the CP2K and AMBER software packages.Genomic responses to arsenic in the cyanobacterium Synechocystis sp. PCC 6803.Understanding thio-effects in simple phosphoryl systems: role of solvent effects and nucleophile charge.Mechanistic insights into RNA transphosphorylation from kinetic isotope effects and linear free energy relationships of model reactions.Cooperative Electrostatic Interactions Drive Functional Evolution in the Alkaline Phosphatase Superfamily.Modular Synthesis of Novel Macrocycles Bearing α,β-Unsaturated Chemotypes through a Series of One-Pot, Sequential Protocols.Prebiotic synthesis of nucleic acids and their building blocks at the atomic level - merging models and mechanisms from advanced computations and experiments.Promiscuity in the Enzymatic Catalysis of Phosphate and Sulfate Transfer.The Competing Mechanisms of Phosphate Monoester Dianion HydrolysisProbing the mechanisms for the selectivity and promiscuity of methyl parathion hydrolase.Exceptionally large entropy contributions enable the high rates of GTP hydrolysis on the ribosome.VR-SCOSMO: A smooth conductor-like screening model with charge-dependent radii for modeling chemical reactionsAmbient-Potential Composite Ewald Method for ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics SimulationToward Determining ATPase Mechanism in ABC Transporters: Development of the Reaction Path-Force Matching QM/MM Method.Quantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant ab initio QM/MM free-energy surfaces.Quantitative exploration of the molecular origin of the activation of GTPase.Active Site Hydrophobicity and the Convergent Evolution of Paraoxonase Activity in Structurally Divergent Enzymes: The Case of Serum Paraoxonase 1.Parameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications.Altered (transition) states: mechanisms of solution and enzyme catalyzed RNA 2'-O-transphosphorylationMolecular mechanisms of asymmetric RAF dimer activation.Invited review: Small GTPases and their GAPs.Imaging Adenosine Triphosphate (ATP)A computational study of the phosphoryl transfer reaction between ATP and Dha in aqueous solution.Metal Fluorides as Analogues for Studies on Phosphoryl Transfer Enzymes.Metal Fluorides: Tools for Structural and Computational Analysis of Phosphoryl Transfer Enzymes.A Chemist's Perspective on the Role of Phosphorus at the Origins of Life
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
@pt
artigo científico
@pt-br
artikel ilmiah
@id
artikull shkencor
@sq
artículo científico
@es
name
Why nature really chose phosphate.
@en
type
label
Why nature really chose phosphate.
@en
prefLabel
Why nature really chose phosphate.
@en
P2860
P1476
Why nature really chose phosphate.
@en
P2093
Pankaz K Sharma
Ram B Prasad
P2860
P356
10.1017/S0033583512000157
P577
2013-01-15T00:00:00Z