Development of a New AMBER Force Field for Cysteine and Histidine Cadmium Binding Proteins and its Validation through QM/MM MD Simulations

These are the data necessary to reproduce the numerical experiments of the paper: "Development of a New AMBER Force Field for Cysteine and Histidine Cadmium Binding Proteins and its Validation through QM/MM MD Simulations" by Orlandi et al...

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-12-01
DOI
https://doi.org/10.5281/zenodo.14276548
Primary Topic
Protein Structure and Dynamics
Type
article
Field-Weighted Citation Impact
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article

Development of a New AMBER Force Field for Cysteine and Histidine Cadmium Binding Proteins and its Validation through QM/MM MD Simulations

Zenodo (CERN European Organization for Nuclear Research)
Protein Structure and Dynamics
article

Development of a New AMBER Force Field for Cysteine and Histidine Cadmium Binding Proteins and its Validation through QM/MM MD Simulations

article en

Abstract

These are the data necessary to reproduce the numerical experiments of the paper: "Development of a New AMBER Force Field for Cysteine and Histidine Cadmium Binding Proteins and its Validation through QM/MM MD Simulations" by Orlandi et al...

Zenodo (CERN European Organization for Nuclear Research)
University of Florence (IT)
Openalex Percentile: Top 58%
Protein Structure and Dynamics
DOIOpen Access PDFOpenAlex
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Development of a New AMBER Force Field for Cysteine and Histidine Cadmium Binding Proteins and its Validation through QM/MM MD Simulations · Zenodo (CERN European Organization for Nuclear Research) (2024) | TGRS Research Map | TGRS