| A simple polarizable model of water based on classical Drude oscillators G Lamoureux, AD MacKerell, B Roux The Journal of chemical physics 119 (10), 5185-5197, 2003 | 826 | 2003 |
| Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm G Lamoureux, B Roux The Journal of chemical physics 119 (6), 3025-3039, 2003 | 816 | 2003 |
| A polarizable model of water for molecular dynamics simulations of biomolecules G Lamoureux, E Harder, IV Vorobyov, B Roux, AD MacKerell Jr Chemical Physics Letters 418 (1-3), 245-249, 2006 | 721 | 2006 |
| Simulating monovalent and divalent ions in aqueous solution using a Drude polarizable force field H Yu, TW Whitfield, E Harder, G Lamoureux, I Vorobyov, VM Anisimov, ... Journal of chemical theory and computation 6 (3), 774-786, 2010 | 483 | 2010 |
| Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field G Lamoureux, B Roux The journal of physical chemistry B 110 (7), 3308-3322, 2006 | 453 | 2006 |
| Molecular dynamics study of hydration in ethanol− water mixtures using a polarizable force field SY Noskov, G Lamoureux, B Roux The Journal of Physical Chemistry B 109 (14), 6705-6713, 2005 | 355 | 2005 |
| Determination of electrostatic parameters for a polarizable force field based on the classical Drude oscillator VM Anisimov, G Lamoureux, IV Vorobyov, N Huang, B Roux, ... Journal of chemical theory and computation 1 (1), 153-168, 2005 | 335 | 2005 |
| Polarizable empirical force field for aromatic compounds based on the classical drude oscillator PEM Lopes, G Lamoureux, B Roux, AD MacKerell The Journal of Physical Chemistry B 111 (11), 2873-2885, 2007 | 195 | 2007 |
| Deep convolutional networks for quality assessment of protein folds G Derevyanko, S Grudinin, Y Bengio, G Lamoureux Bioinformatics 34 (23), 4046-4053, 2018 | 119 | 2018 |
| Theoretical Study of Aqueous Solvation of K+ Comparing ab Initio, Polarizable, and Fixed-Charge Models TW Whitfield, S Varma, E Harder, G Lamoureux, SB Rempe, B Roux Journal of Chemical Theory and Computation 3 (6), 2068-2082, 2007 | 109 | 2007 |
| Genetic, Structural, and Functional Evidence Link TMEM175 to Synucleinopathies L Krohn, TN Öztürk, B Vanderperre, B Ouled Amar Bencheikh, JA Ruskey, ... Annals of neurology 87 (1), 139-153, 2020 | 89 | 2020 |
| Polarizable empirical force field for nitrogen‐containing heteroaromatic compounds based on the classical Drude oscillator PEM Lopes, G Lamoureux, AD Mackerell Jr Journal of computational chemistry 30 (12), 1821-1838, 2009 | 85 | 2009 |
| Cation− π and π–π interactions in aqueous solution studied using polarizable potential models EA Orabi, G Lamoureux Journal of chemical theory and computation 8 (1), 182-193, 2012 | 79 | 2012 |
| Peptide hydrolysis in thermolysin: Ab initio QM/MM investigation of the Glu143-assisted water addition mechanism J Blumberger, G Lamoureux, ML Klein Journal of chemical theory and computation 3 (5), 1837-1850, 2007 | 78 | 2007 |
| Reorganization free energies and quantum corrections for a model electron self-exchange reaction: comparison of polarizable and non-polarizable solvent models J Blumberger, G Lamoureux Molecular Physics 106 (12-13), 1597-1611, 2008 | 74 | 2008 |
| Ammonium transporters achieve charge transfer by fragmenting their substrate S Wang, EA Orabi, S Baday, S Bernèche, G Lamoureux Journal of the American Chemical Society 134 (25), 10419-10427, 2012 | 70 | 2012 |
| Modeling the charge distribution at metal sites in proteins for molecular dynamics simulations M Dal Peraro, K Spiegel, G Lamoureux, M De Vivo, WF DeGrado, ... Journal of structural biology 157 (3), 444-453, 2007 | 61 | 2007 |
| Chemical modification of temoporfin–a second generation photosensitizer activated using upconverting nanoparticles for singlet oxygen generation Q Yu, EM Rodriguez, R Naccache, P Forgione, G Lamoureux, ... Chemical Communications 50 (81), 12150-12153, 2014 | 59 | 2014 |
| A stable water chain in the hydrophobic pore of the AmtB ammonium transporter G Lamoureux, ML Klein, S Bernèche Biophysical journal 92 (9), L82-L84, 2007 | 54 | 2007 |
| Transport mechanisms in the ammonium transporter family G Lamoureux, A Javelle, S Baday, S Wang, S Berneche Transfusion clinique et biologique 17 (3), 168-175, 2010 | 49 | 2010 |
Benoit RouxProfessor of Biochemistry, The university of ChicagoVerified email at uchicago.edu
