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A- to B-DNA Transition in AMBER Force Fields and Its Coupling to Sugar Pucker

artículo científico publicado en 2017

Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite.

artículo científico publicado en 2017

Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences.

artículo científico publicado en 2017

Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations

article published in 2010

Mapping the Chemical Space of the RNA Cleavage and Its Implications for Ribozyme Catalysis.

artículo científico publicado en 2017

Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy

artículo científico publicado en 2013

Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy ⬇️

artículo científico publicado en 2014

RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.

artículo científico publicado en 2018

Toward Accurate Hydrogen Bonds by Scalable Quantum Monte Carlo

scientific article published on 07 May 2019

Z-DNA as a Touchstone for Additive Empirical Force Fields and a Refinement of the Alpha/Gamma DNA Torsions for AMBER

artículo científico publicado en 2021

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