Publications by authors named "Dan Mendels"

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Evaluating the use of a machine learning simulator for structure-property prediction: A case study on disordered elastic networks.
Salman N Salman, Sergey A Shteingolts, Ron Levie, Dan Mendels

J Chem Phys· September 2025

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Development of Masitinib Derivatives with Enhanced M Ligand Efficiency and Reduced Cytotoxicity.
Cintia A Menendez, Adil Mohamed, Gustavo R Perez-Lemus, Adam M Weiss, Benjamin W Rawe, Dan Mendels

Molecules· September 2023

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Systematic modification of functionality in disordered elastic networks through free energy surface tailoring.
Dan Mendels, Fabian Byléhn, Timothy W Sirk, Juan J de Pablo

Sci Adv· June 2023

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Solubility of Organic Salts in Solvent-Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach.
Zoran Bjelobrk, Ashwin Kumar Rajagopalan, Dan Mendels, Tarak Karmakar, Michele Parrinello

J Chem Theory Comput· August 2022

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Collective Variables for Free Energy Surface Tailoring: Understanding and Modifying Functionality in Systems Dominated by Rare Events.
Dan Mendels, Juan J de Pablo

J Phys Chem Lett· March 2022

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Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant Analysis.
Valerio Rizzi, Dan Mendels, Emilia Sicilia, Michele Parrinello

J Chem Theory Comput· August 2019

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Improving collective variables: The case of crystallization.
Yue-Yu Zhang, Haiyang Niu, GiovanniMaria Piccini, Dan Mendels, Michele Parrinello

J Chem Phys· March 2019

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Folding a small protein using harmonic linear discriminant analysis.
Dan Mendels, Giovannimaria Piccini, Z Faidon Brotzakis, Yi I Yang, Michele Parrinello

J Chem Phys· November 2018

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Metadynamics with Discriminants: A Tool for Understanding Chemistry.
GiovanniMaria Piccini, Dan Mendels, Michele Parrinello

J Chem Theory Comput· October 2018

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Collective Variables from Local Fluctuations.
Dan Mendels, GiovanniMaria Piccini, Michele Parrinello

J Phys Chem Lett· June 2018

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A Comprehensive study of the Effects of Chain Morphology on the Transport Properties of Amorphous Polymer Films.
Dan Mendels, Nir Tessler

Sci Rep· July 2016

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Thermoelectricity in Disordered Organic Semiconductors under the Premise of the Gaussian Disorder Model and Its Variants.
Dan Mendels, Nir Tessler

J Phys Chem Lett· September 2014

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Rigorous analysis of image force barrier lowering in bounded geometries: application to semiconducting nanowires.
Yonatan Calahorra, Dan Mendels, Ariel Epstein

Nanotechnology· April 2014

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