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Publications by José D. Faraldo-Gómez

Ensemble-Biased Metadynamics: A Molecular Simulation Method to Sample Experimental Distributions

Biophysical Journal

English

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Confidence Analysis of DEER Data and Its Structural Interpretation With Ensemble-Biased Metadynamics

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Quantum Chemical Molecular Dynamics and Metadynamics Simulation of Aluminium Binding to Amyloid-Β and Related Peptides

Royal Society Open Science

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A System Simulation Approach to Ensemble Prediction

Monthly Weather Review

Atmospheric Science

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Comparing Simulated and Experimental Molecular Cluster Distributions

Faraday Discussions

Theoretical Chemistry

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Proton Exchange in a Paramagnetic Chemical Exchange Saturation Transfer Agent From Experimental Studies and Ab Initio Metadynamics Simulation

Inorganic Chemistry

Inorganic Chemistry

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A Method for Ensemble Expansion and Improved Definition of Forecast Distributions From Climate Simulations

Quarterly Journal of the Royal Meteorological Society

Atmospheric Science

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What Is the Active Site for the Oxidative Coupling of Methane Catalyzed by MgO? A Metadynamics-Biased Ab Initio Molecular Dynamics Study

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An Introduction to Classical Molecular Dynamics Simulation for Experimental Scattering Users

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Molecular Biology

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Application of Paramagnetic NMR-Validated Molecular Dynamics Simulation to the Analysis of a Conformational Ensemble of a Branched Oligosaccharide

Organic Chemistry

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Analytical Chemistry

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Pharmaceutical Science

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