Ana V. Cunha

Adaptive Resolution Simulation of MARTINI Solvents

Julija Zavadlav, Manuel N. Melo, Ana V. Cunha et al. · Journal of Chemical Theory and Computation · 2014 · 51 citations

Chemical Thermodynamics, Engineering, Physics +14

Assessing Spectral Simulation Protocols for the Amide I Band of Proteins

Ana V. Cunha, Anna S. Bondarenko, Thomas L. C. Jansen · Journal of Chemical Theory and Computation · 2016 · 47 citations · Full text

Protein Chemistry, Simulation Protocol, Spectral Simulation Protocols +10

Interplay between Hydrogen Bonding and Vibrational Coupling in Liquid <i>N</i>-Methylacetamide

Ana V. Cunha, Evgeniia Salamatova, Steven J. Roeters et al. · The Journal of Physical Chemistry Letters · 2017 · 47 citations · Full text

Molecular Biology, Chemistry, Molecular Dynamics +19

Hydrogen bond dynamics in bulk alcohols

Keisuke Shinokita, Ana V. Cunha, Thomas L. C. Jansen et al. · The Journal of Chemical Physics · 2015 · 38 citations · Full text

Hydrogen Bond Acceptors, Engineering, Biochemistry +12

Total Synthesis of the Alleged Structure of Crenarchaeol Enables Structure Revision**

Mira Holzheimer, Jaap S. Sinninghe Damsté, Stefan Schouten et al. · Angewandte Chemie International Edition · 2021 · 30 citations · Full text