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Lista de obras de Nadine Homeyer

A platform for target prediction of phenotypic screening hit molecules

artículo científico publicado en 2019

AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine

artículo científico publicado en 2005

Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM.

artículo científico publicado en 2016

Binding Free Energy Calculations for Lead Optimization: Assessment of Their Accuracy in an Industrial Drug Design Context

artículo científico publicado en 2014

Complex long-distance effects of mutations that confer linezolid resistance in the large ribosomal subunit

artículo científico publicado en 2015

Conformational switch upon phosphorylation: human CDK inhibitor p19INK4d between the native and partially folded state

artículo científico publicado en 2009

Cyclin-dependent kinase 12 is a drug target for visceral leishmaniasis

scientific article published in Nature

Determinants of the species selectivity of oxazolidinone antibiotics targeting the large ribosomal subunit

artículo científico publicado en 2013

Effect of HPr phosphorylation on structure, dynamics, and interactions in the course of transcriptional control

article

Effects of histidine protonation and phosphorylation on histidine-containing phosphocarrier protein structure, dynamics, and physicochemical properties.

artículo científico publicado en 2007

Extension of the free energy workflow FEW towards implicit solvent/implicit membrane MM-PBSA calculations

artículo científico publicado en 2014

FEW: a workflow tool for free energy calculations of ligand binding

artículo científico publicado en 2013

Free Energy Calculations by the Molecular Mechanics Poisson-Boltzmann Surface Area Method

artículo científico publicado en 2012

Glutamine synthetase mutations that cause glutamine deficiency: mechanistic insights from molecular dynamics simulations.

artículo científico publicado en 2014

Interpreting Thermodynamic Profiles of Aminoadamantane Compounds Inhibiting the M2 Proton Channel of Influenza A by Free Energy Calculations

artículo científico publicado en 2016

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

artículo científico publicado en 2012

Mechanism of fully-reversible, pH-sensitive inhibition of human glutamine synthetase by tyrosine nitration

scientific article published on 17 June 2020

Molecular Mechanisms of Glutamine Synthetase Mutations that Lead to Clinically Relevant Pathologies

artículo científico publicado en 2016

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