Dimas Suarez - Dissemin

Papers authored by Dimas Suarez

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2016 Natalia Díaz, Dimas Suárez

Role of the Protonation State on the Structure and Dynamics of Albumin

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2015 Raoni Almeida de Souza, Natalia Díaz, Ronaldo Alves Pinto Nagem, Rafaela Salgado Ferreira, Dimas Suárez

Unraveling the distinctive features of hemorrhagic and non-hemorrhagic snake venom metalloproteinases using molecular simulations

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Dimas Suárez

, Natalia Díaz

Molecular Modeling of Bioorganometallic Compounds: Thermodynamic Properties of Molybdocene-Glutathione Complexes and Mechanism of Peptide Hydrolysis

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Natalia Díaz, Dimas Suárez

Extensive Simulations of the Full-Length Matrix Metalloproteinase-2 Enzyme in a Prereactive Complex with a Collagen Triple-Helical Peptide

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2014 Dimas Suárez

, Natalia Díaz

Sampling Assessment for Molecular Simulations Using Conformational Entropy Calculations

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Dimas Suárez

, Natalia Díaz

Direct methods for computing single-molecule entropies from molecular simulations

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Benjamin Fabre

, Kamila Filipiak, Natalia Díaz, José María Zapico, Dimas Suárez

, Ana Ramos, Beatriz de Pascual-Teresa

An Integrated Computational and Experimental Approach to Gaining Selectivity for MMP-2 within the Gelatinase Subfamily

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2013 Dimas Suárez

, Natalia Díaz, Ramón López

A combined semiempirical and DFT computational protocol for studying bioorganometallic complexes: Application to molybdocene-cysteine complexes

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Natalia Díaz, Dimas Suárez

, Haydeé Valdés

Unraveling the Molecular Structure of the Catalytic Domain of Matrix Metalloproteinase-2 in Complex with a Triple-Helical Peptide by Means of Molecular Dynamics Simulations

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Dimas Suárez

, Mohammad Zakarianezhad, Ramón López

Insights into the hydrolytic chemistry of molybdocene dichloride based on a theoretical mechanistic study

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Ernesto Suárez, Natalia Díaz, Jefferson Méndez, Dimas Suárez

CENCALC: A computational tool for conformational entropy calculations from molecular simulations

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Benjamin Fabre

, Kamila Filipiak, José María Zapico, Natalia Díaz, Rodrigo J. Carbajo, Anne K. Schott, María Paz Martínez-Alcázar, Dimas Suárez

, Antonio Pineda-Lucena, Ana Ramos, Beatriz de Pascual-Teresa

Progress towards water-soluble triazole-based selective MMP-2 inhibitors

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2012 Jefferson Méndez-Hurtado, Ramón López, Dimas Suárez

, María Isabel Menéndez

Theoretical Study of the Oxidation of Histidine by Singlet Oxygen

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Natalia Díaz, Dimas Suárez

Alternative Interdomain Configurations of the Full-Length MMP-2 Enzyme Explored by Molecular Dynamics Simulations

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Montes-Morán, D. Suárez

, J. Angel Menéndez, E. Fuente

The Basicity of Carbons

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Ernesto Suárez, Dimas Suárez

Multibody local approximation: Application to conformational entropy calculations on biomolecules

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2011 Dimas Suárez

, Víctor M. Rayón, Natalia Díaz, Haydée Valdés

Ab Initio Benchmark Calculations on Ca(II) Complexes and Assessment of Density Functional Theory Methodologies

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Ernesto Suárez, Natalia Díaz, Dimas Suárez

Entropy Calculations of Single Molecules by Combining the Rigid–Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations

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2010 Elkin Tílvez, Natalia Díaz, M. Isabel Menéndez, Dimas Suárez

, Ramón López

Quantum chemical calculations of stability constants: study of ligand effects on the relative stability of Pd(II)–peptide complexes

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Fabricio R. Bisogno, Eduardo García-Urdiales, Haydee Valdés, Iván Lavandera

, Wolfgang Kroutil

, Dimas Suárez

, Vicente Gotor

Ketone-Alcohol Hydrogen-Transfer Equilibria: Is the Biooxidation of Halohydrins Blocked?

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Papers authored by Dimas Suarez