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International Journal of Molecular Sciences|July 30, 2020
Exploring IDP-Ligand Interactions: tau K18 as A Test CaseDarius Vagrys, James Davidson, Ijen Chen, et al.Trends in Microbiology|July 27, 2010
Caught in a TRAP: substrate-binding proteins in secondary transportMarcus Fischer, Qian Yi Zhang, Roderick E Hubbard, et al.Current Opinion in Pharmacology|July 16, 2016
Guiding lead optimization with GPCR structure modeling and molecular dynamicsAlexander Heifetz, Tim James, Inaki Morao, et al.Journal of the American Chemical Society|December 24, 2016
Predictions of Ligand Selectivity from Absolute Binding Free Energy CalculationsMatteo Aldeghi, Alexander Heifetz, Michael J Bodkin, et al.FEBS Letters|October 24, 2003
A prokaryotic glutamate receptor: homology modelling and molecular dynamics simulations of GluR0Yalini Arinaminpathy, Philip C Biggin, Indira H Shrivastava, et al.Biochemistry|April 2, 2003
Extending the structure of an ABC transporter to atomic resolution: modeling and simulation studies of MsbAJeff D Campbell, Philip C Biggin, Marc Baaden, et al.Biophysical Journal|March 4, 2009
Selectivity and cooperativity of modulatory ions in a neurotransmitter receptorRanjit Vijayan, Andrew J R Plested, Mark L Mayer, et al.ACS Chemical Neuroscience|January 15, 2016
Role of an Absolutely Conserved Tryptophan Pair in the Extracellular Domain of Cys-Loop ReceptorsNina Braun, Timothy Lynagh, Rilei Yu, et al.Chemical Science|January 23, 2016
Accurate calculation of the absolute free energy of binding for drug moleculesMatteo Aldeghi, Alexander Heifetz, Michael J Bodkin, et al.Neuropharmacology|July 4, 2017
Insights into channel dysfunction from modelling and molecular dynamics simulationsMaria Musgaard, Teresa Paramo, Laura Domicevica, et al.Pageof 23