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Disambiguation of "Díaz, Natalia"

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Molecular dynamics simulations of the dinuclear zinc--lactamase from Bacteroides fragilis complexed with imipenem.

, , and . J. Comput. Chem., 23 (16): 1587-1600 (2002)

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Leonardo Díaz

Juan Díaz Ochoa

Gonzalo Díaz Díaz

Jesús Díaz y Díaz

Daniel Díaz Alvarado

 

Other publications of authors with the same name

Understanding the Conformational Properties of Fluorinated Polypeptides: Molecular Modelling of Unguisin A., and . J. Chem. Inf. Model., 61 (1): 223-237 (2021)Molecular dynamics simulations of the dinuclear zinc--lactamase from Bacteroides fragilis complexed with imipenem., , and . J. Comput. Chem., 23 (16): 1587-1600 (2002)Unraveling the distinctive features of hemorrhagic and non-hemorrhagic snake venom metalloproteinases using molecular simulations., , , , and . J. Comput. Aided Mol. Des., 30 (1): 69-83 (2016)SARS-CoV-2 Main Protease: A Molecular Dynamics Study., and . J. Chem. Inf. Model., 60 (12): 5815-5831 (2020)CENCALC: A computational tool for conformational entropy calculations from molecular simulations., , , and . J. Comput. Chem., 34 (23): 2041-2054 (2013)Conformational properties of penicillins: Quantum chemical calculations and molecular dynamics simulations of benzylpenicillin., , and . J. Comput. Chem., 24 (15): 1864-1873 (2003)A combined semiempirical and DFT computational protocol for studying bioorganometallic complexes: Application to molybdocene-cysteine complexes., , and . J. Comput. Chem., 35 (4): 324-334 (2014)Affinity Calculations of Cyclodextrin Host-Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods., and . J. Chem. Inf. Model., 59 (1): 421-440 (2019)Ligand Strain and Entropic Effects on the Binding of Macrocyclic and Linear Inhibitors: Molecular Modeling of Penicillopepsin Complexes., and . J. Chem. Inf. Model., 57 (8): 2045-2055 (August 2017)QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach., , , , and . J. Chem. Inf. Model., 62 (6): 1510-1524 (2022)