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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 1, 2019
Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics SimulationsMauro Bringas, Leandro E Lombardi, F Javier Luque, et al.Journal of Chemical Information and Modeling|March 30, 2019
Understanding the Mechanism of Direct Activation of AMP-Kinase: Toward a Fine Allosteric Tuning of the Kinase ActivityElnaz Aledavood, Gleiciane Moraes, Jeronimo Lameira, et al.Bioorganic & Medicinal Chemistry Letters|October 6, 2005
Structure-based discovery of a new class of Hsp90 inhibitorsXavier Barril, Paul Brough, Martin Drysdale, et al.Journal of Chemical Information and Modeling|July 13, 2017
LigQ: A Webserver to Select and Prepare Ligands for Virtual ScreeningLeandro Radusky, Sergio Ruiz-Carmona, Carlos Modenutti, et al.Proteins|November 10, 2009
Unraveling the molecular basis for ligand binding in truncated hemoglobins: the trHbO Bacillus subtilis caseLeonardo Boechi, Pau Arroyo Mañez, F Javier Luque, et al.The Journal of Organic Chemistry|April 14, 2018
Generation and Reactions of an Octacyclic Hindered Pyramidalized AlkenePelayo Camps, David Lozano, Carla Barbaraci, et al.The Journal of Physical Chemistry. A|November 3, 2006
Local aromaticity in natural nucleobases and their size-expanded benzo-fused derivativesOscar Huertas, Jordi Poater, Miguel Fuentes-Cabrera, et al.Physical Chemistry Chemical Physics : PCCP|August 15, 2018
Determination of the protonation preferences of bilin pigments in cryptophyte antenna complexesMarina Corbella, Zi S D Toa, Gregory D Scholes, et al.Journal of the American Chemical Society|November 20, 2003
Theoretical study of a new DNA structure: the antiparallel Hoogsteen duplexElena Cubero, Nicola G A Abrescia, Juan A Subirana, et al.Journal of Computer-Aided Molecular Design|October 19, 2005
Hydrophobic molecular similarity from MST fractional contributions to the octanol/water partition coefficientJordi Muñoz-Muriedas, Samantha Perspicace, Nuria Bech, et al.Pageof 28