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Journal of Computational Chemistry|October 3, 2007
Structure and dynamics of phospholipid bilayers using recently developed general all-atom force fieldsLula Rosso, Ian R GouldJournal of Computational Chemistry|April 30, 2008
Ab initio computational study of positron emission tomography ligands interacting with lipid molecule for the prediction of nonspecific bindingLula Rosso, Antony D Gee, Ian R GouldPhysical Chemistry Chemical Physics : PCCP|November 5, 2011
Further evaluation of quantum chemical methods for the prediction of non-specific binding of positron emission tomography tracersCallum J Dickson, Antony D Gee, Idriss Bennacef, et al.Current Opinion in Pharmacology|August 21, 2012
PET imaging: implications for the future of therapy monitoring with PET/CT in oncologyGiampaolo Tomasi, Lula RossoThe Journal of Chemical Physics|September 1, 2006
Efficient and precise solvation free energies via alchemical adiabatic molecular dynamicsJerry B Abrams, Lula Rosso, Mark E TuckermanThe Journal of Physical Chemistry. B|July 21, 2006
Mapping the backbone dihedral free-energy surfaces in small peptides in solution using adiabatic free-energy dynamicsLula Rosso, Jerry B Abrams, Mark E TuckermanThe Journal of Physical Chemistry. B|June 15, 2007
Radiationless decay in exciplexes with variable charge transferIan R Gould, Samir FaridThe Journal of Physical Chemistry. A|February 10, 2006
Structural characterization of the 1-butyl-3-methylimidazolium chloride ion pair using ab initio methodsPatricia A Hunt, Ian R GouldJournal of Chemical Information and Modeling|October 4, 2022
Large-Scale Distributed Training of Transformers for Chemical FingerprintingHisham Abdel-Aty, Ian R GouldJournal of Molecular Graphics & Modelling|September 20, 2005
A combined QM and MM investigation into guanine quadruplexesEmma H Clay, Ian R GouldPageof 8