Comparing interfacial dynamics in protein-protein complexes: an elastic network approach

por Zen, Andrea, Micheletti, Cristian, Keskin, Ozlem, Nussinov, Ruth
Publicado 2010

Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model

por Zen, Andrea, Coccia, Emanuele, Gozem, Samer, Olivucci, Massimo, Guidoni, Leonardo
Publicado 2015

Fast and accurate quantum Monte Carlo for molecular crystals

por Zen, Andrea, Brandenburg, Jan Gerit, Klimeš, Jiří, Tkatchenko, Alexandre, Alfè, Dario, Michaelides, Angelos
Publicado 2018

Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments

por Shi, Benjamin X., Zen, Andrea, Kapil, Venkat, Nagy, Péter R., Grüneis, Andreas, Michaelides, Angelos
Publicado 2023

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations

por Sosso, Gabriele C., Chen, Ji, Cox, Stephen J., Fitzner, Martin, Pedevilla, Philipp, Zen, Andrea, Michaelides, Angelos
Publicado 2016

QUADRatlas: the RNA G-quadruplex and RG4-binding proteins database

por Bourdon, Sébastien, Herviou, Pauline, Dumas, Leïla, Destefanis, Eliana, Zen, Andrea, Cammas, Anne, Millevoi, Stefania, Dassi, Erik
Publicado 2022

Toward Accurate Adsorption Energetics on Clay Surfaces

por Zen, Andrea, Roch, Loïc M., Cox, Stephen J., Hu, Xiao Liang, Sorella, Sandro, Alfè, Dario, Michaelides, Angelos
Publicado 2016

Interactions between large molecules pose a puzzle for reference quantum mechanical methods

por Al-Hamdani, Yasmine S., Nagy, Péter R., Zen, Andrea, Barton, Dennis, Kállay, Mihály, Brandenburg, Jan Gerit, Tkatchenko, Alexandre
Publicado 2021

Long-Range Ionic and Short-Range Hydration Effects Govern Strongly Anisotropic Clay Nanoparticle Interactions

por Zen, Andrea, Bui, Tai, Bao Le, Tran Thi, Tay, Weparn J., Chellappah, Kuhan, Collins, Ian R., Rickman, Richard D., Striolo, Alberto, Michaelides, Angelos
Publicado 2022