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Journal of Cheminformatics|August 15, 2021
Learning protein-ligand binding affinity with atomic environment vectorsRocco Meli, Andrew Anighoro, Mike J Bodkin, et al.Journal of the American Chemical Society|August 25, 2007
Characterization of protein conformational states by normal-mode frequenciesBenjamin A Hall, Samantha L Kaye, Andy Pang, et al.Physical Chemistry Chemical Physics : PCCP|July 29, 2016
The solvation structure of alprazolamAkshay Sridhar, Andrew J Johnston, Luxmmi Varathan, et al.Biochemistry|September 4, 2014
Agonist and antagonist binding in human glycine receptorsRilei Yu, Eliott Hurdiss, Timo Greiner, et al.Molecular Membrane Biology|August 13, 2005
The alpha7 nicotinic acetylcholine receptor: molecular modelling, electrostatics, and energeticsShiva Amiri, Kaihsu Tai, Oliver Beckstein, et al.The Journal of Neuroscience : the Official Journal of the Society for Neuroscience|July 4, 2008
Non-agonist-binding subunit interfaces confer distinct functional signatures to the alternate stoichiometries of the alpha4beta2 nicotinic receptor: an alpha4-alpha4 interface is required for Zn2+ potentiationMirko Moroni, Ranjit Vijayan, Anna Carbone, et al.Nature Reviews. Drug Discovery|July 16, 2016
Twenty years on: the impact of fragments on drug discoveryDaniel A Erlanson, Stephen W Fesik, Roderick E Hubbard, et al.Nature Structural & Molecular Biology|May 31, 2022
Structural insights into binding of therapeutic channel blockers in NMDA receptorsTsung-Han Chou, Max Epstein, Kevin Michalski, et al.Plos One|February 19, 2015
Exploring the interaction of SV2A with racetams using homology modelling, molecular dynamics and site-directed mutagenesisJoanna Lee, Veronique Daniels, Zara A Sands, et al.Science Advances|February 13, 2026
Structural basis for domain coupling in heteromeric glycine receptors revealed by an atypical allosteric agonistEric Gibbs, Bjarne Feddersen, Kayla J Kindig, et al.Pageof 23