Prediction of hydrogen-bonding networks around tyrosyl radical inP. eryngiiversatile peroxidase W164Y variants: a QM/MM MD study

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Prediction of hydrogen-bonding networks around tyrosyl radical inP. eryngiiversatile peroxidase W164Y variants: a QM/MM MD study

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im August 2013 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована в серпні 2013

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Prediction of hydrogen-bonding ...... 64Y variants: a QM/MM MD study

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Prediction of hydrogen-bonding ...... 64Y variants: a QM/MM MD study

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Prediction of hydrogen-bonding ...... 64Y variants: a QM/MM MD study

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Prediction of hydrogen-bonding ...... 64Y variants: a QM/MM MD study

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Prediction of hydrogen-bonding ...... 64Y variants: a QM/MM MD study

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Prediction of hydrogen-bonding ...... 64Y variants: a QM/MM MD study

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P1476

Prediction of hydrogen-bonding ...... 64Y variants: a QM/MM MD study

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P2093

Rebecca Pogni

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P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Canonical dynamics: Equilibrium phase-space distributions

Protein Radicals in Fungal Versatile Peroxidase: CATALYTIC TRYPTOPHAN RADICAL IN BOTH COMPOUND I AND COMPOUND II AND STUDIES ON W164Y, W164H, AND W164S VARIANTS

All-atom empirical potential for molecular modeling and dynamics studies of proteins

VMD: visual molecular dynamics

Scalable molecular dynamics with NAMD

Proton-coupled electron flow in protein redox machines

QM/MM metadynamics study of the direct decarboxylation mechanism for orotidine-5'-monophosphate decarboxylase using two different QM regions: acceleration too small to explain rate of enzyme catalysis

The nature of tryptophan radicals involved in the long-range electron transfer of lignin peroxidase and lignin peroxidase-like systems: Insights from quantum mechanical/molecular mechanics simulations.

Isotopic hydration of cellobiose: vibrational spectroscopy and dynamical simulations.

P304

485-490

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P31

scholarly article

P356

10.1080/08927022.2013.822967

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P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Riccardo Basosi

Adalgisa Sinicropi

Caterina Bernini

P577

2013-08-06T00:00:00Z

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