S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures

por Řezáč, Jan, Riley, Kevin E., Hobza, Pavel
Publicado 2011

Erratum to “S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures”

por Řezáč, Jan, Riley, Kevin E., Hobza, Pavel
Publicado 2014

Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking

por Ajani, Haresh, Pecina, Adam, Eyrilmez, Saltuk M., Fanfrlík, Jindřich, Haldar, Susanta, Řezáč, Jan, Hobza, Pavel, Lepšík, Martin
Publicado 2017

A dual-fMRI investigation of the iterated Ultimatum Game reveals that reciprocal behaviour is associated with neural alignment

por Shaw, Daniel J., Czekóová, Kristína, Staněk, Rostislav, Mareček, Radek, Urbánek, Tomáš, Špalek, Jiří, Kopečková, Lenka, Řezáč, Jan, Brázdil, Milan
Publicado 2018

Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic

por Le Poul, Nicolas, Colasson, Benoit, Thiabaud, Grégory, Dit Fouque, Dany Jeanne, Iacobucci, Claudio, Memboeuf, Antony, Douziech, Bénédicte, Řezáč, Jan, Prangé, Thierry, de la Lande, Aurélien, Reinaud, Olivia, Le Mest, Yves
Publicado 2018

QM/MM Calculations with deMon2k

por Salahub, Dennis R., Noskov, Sergei Yu., Lev, Bogdan, Zhang, Rui, Ngo, Van, Goursot, Annick, Calaminici, Patrizia, Köster, Andreas M., Alvarez-Ibarra, Aurelio, Mejía-Rodríguez, Daniel, Řezáč, Jan, Cailliez, Fabien, de la Lande, Aurélien
Publicado 2015