Natalia Díaz
Orcid: 0000-0002-9641-7630
According to our database1,
Natalia Díaz
authored at least 10 papers
between 2002 and 2022.
Collaborative distances:
Collaborative distances:
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Bibliography
2022
J. Chem. Inf. Model., 2022
2021
Understanding the Conformational Properties of Fluorinated Polypeptides: Molecular Modelling of Unguisin A.
J. Chem. Inf. Model., 2021
2020
2019
Affinity Calculations of Cyclodextrin Host-Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods.
J. Chem. Inf. Model., 2019
2017
Ligand Strain and Entropic Effects on the Binding of Macrocyclic and Linear Inhibitors: Molecular Modeling of Penicillopepsin Complexes.
J. Chem. Inf. Model., August, 2017
2016
Unraveling the distinctive features of hemorrhagic and non-hemorrhagic snake venom metalloproteinases using molecular simulations.
J. Comput. Aided Mol. Des., 2016
2014
A combined semiempirical and DFT computational protocol for studying bioorganometallic complexes: Application to molybdocene-cysteine complexes.
J. Comput. Chem., 2014
2013
CENCALC: A computational tool for conformational entropy calculations from molecular simulations.
J. Comput. Chem., 2013
2003
Conformational properties of penicillins: Quantum chemical calculations and molecular dynamics simulations of benzylpenicillin.
J. Comput. Chem., 2003
2002
Molecular dynamics simulations of the dinuclear zinc--lactamase from Bacteroides fragilis complexed with imipenem.
J. Comput. Chem., 2002