☰

Guillaume Lamoureux, Ph.D. - Publications

Affiliations: 
Chemistry Concordia University (Canada), Montreal, QC, Canada 
Website:
http://faculty.concordia.ca/glamoure/
Tree Info Similar researchers PubMed Report error

42 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Rupakheti C, Lamoureux G, MacKerell AD, Roux B. Statistical mechanics of polarizable force fields based on classical Drude oscillators with dynamical propagation by the dual-thermostat extended Lagrangian. The Journal of Chemical Physics. 153: 114108. PMID 32962358 DOI: 10.1063/5.0019987  0.499
2020 Ozturk TN, Culham DE, Tempelhagen L, Wood JM, Lamoureux G. Salt-dependent Interactions Between the C-terminal Domain of Osmoregulatory Transporter ProP of and the Lipid Membrane. The Journal of Physical Chemistry. B. PMID 32838524 DOI: 10.1021/Acs.Jpcb.0C03935  0.353
2020 Blessing B, Trout C, Morales A, Rybacki K, Love SA, Lamoureux G, O'Malley SM, Hu X, Cruz DS. The Impact of Composition and Morphology on Ionic Conductivity of Silk/Cellulose Bio-Composites Fabricated from Ionic Liquid and Varying Percentages of Coagulation Agents. International Journal of Molecular Sciences. 21. PMID 32630158 DOI: 10.3390/Ijms21134695  0.303
2019 Orabi EA, Davis RL, Lamoureux G. Drude polarizable force field for cation-π interactions of alkali and quaternary ammonium ions with aromatic amino acid side chains. Journal of Computational Chemistry. PMID 31652004 DOI: 10.1002/Jcc.26084  0.396
2018 Culham DE, Marom D, Boutin R, Garner J, Ozturk TN, Sahtout N, Tempelhagen L, Lamoureux G, Wood JM. Dual Role of the C-Terminal Domain in Osmosensing by Bacterial Osmolyte Transporter ProP. Biophysical Journal. PMID 30448037 DOI: 10.1016/J.Bpj.2018.10.023  0.314
2018 Orabi EA, Lamoureux G. Cation-π Interactions Between Quaternary Ammonium Ions and Amino Acid Aromatic Groups in Aqueous Solution. The Journal of Physical Chemistry. B. PMID 29397727 DOI: 10.1021/Acs.Jpcb.7B11983  0.39
2017 Carabet LA, Guertin M, Lagüe P, Lamoureux G. Mechanism of the Nitric Oxide Dioxygenase Reaction of Mycobacterium tuberculosis Hemoglobin N. The Journal of Physical Chemistry. B. PMID 28835102 DOI: 10.1021/Acs.Jpcb.7B06494  0.589
2017 Ebert MCCJC, Guzman Espinola J, Lamoureux G, Pelletier JN. Substrate-Specific Screening for Mutational Hotspots Using Biased Molecular Dynamics Simulations Acs Catalysis. 7: 6786-6797. DOI: 10.1021/Acscatal.7B02634  0.305
2017 Ozturk TN, Lamoureux G. Molecular Modelling of Hexamer and Tetramer Forms of the Orai Calcium Channel Biophysical Journal. 112: 506a. DOI: 10.1016/J.Bpj.2016.11.2739  0.304
2016 Paz Ramos A, Lagüe P, Lamoureux G, Lafleur M. Effect of Saturated Very Long-Chain Fatty Acids on the Organization of Lipid Membranes: A Study Combining (2)H NMR Spectroscopy and Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 27351151 DOI: 10.1021/Acs.Jpcb.6B04958  0.614
2015 Baday S, Orabi EA, Wang S, Lamoureux G, Bernèche S. Mechanism of NH4(+) Recruitment and NH3 Transport in Rh Proteins. Structure (London, England : 1993). 23: 1550-7. PMID 26190573 DOI: 10.1016/J.Str.2015.06.010  0.351
2015 Rhéault JF, Gagné È, Guertin M, Lamoureux G, Auger M, Lagüe P. Molecular model of hemoglobin N from Mycobacterium tuberculosis bound to lipid bilayers: a combined spectroscopic and computational study. Biochemistry. 54: 2073-84. PMID 25723781 DOI: 10.1021/Bi5010624  0.616
2014 Orabi EA, Lamoureux G. Simulation of Liquid and Supercritical Hydrogen Sulfide and of Alkali Ions in the Pure and Aqueous Liquid. Journal of Chemical Theory and Computation. 10: 3221-35. PMID 26588292 DOI: 10.1021/Ct5002335  0.379
2014 Wang S, MacKay L, Lamoureux G. Development of Semiempirical Models for Proton Transfer Reactions in Water. Journal of Chemical Theory and Computation. 10: 2881-90. PMID 26588263 DOI: 10.1021/Ct500164H  0.33
2013 Orabi EA, Lamoureux G. Molecular Dynamics Investigation of Alkali Metal Ions in Liquid and Aqueous Ammonia. Journal of Chemical Theory and Computation. 9: 2324-38. PMID 26583725 DOI: 10.1021/Ct4001069  0.356
2013 Orabi EA, Lamoureux G. Polarizable Interaction Model for Liquid, Supercritical, and Aqueous Ammonia. Journal of Chemical Theory and Computation. 9: 2035-51. PMID 26583551 DOI: 10.1021/Ct301123J  0.35
2013 Baday S, Wang S, Lamoureux G, Bernèche S. Different hydration patterns in the pores of AmtB and RhCG could determine their transport mechanisms. Biochemistry. 52: 7091-8. PMID 24021113 DOI: 10.1021/Bi400015F  0.362
2013 Wang S, Orabi EA, Baday S, Bernèche S, Lamoureux G. Computational Investigation of Charge Transfer Mechanisms in Ammonium Transporters Biophysical Journal. 104: 285a. DOI: 10.1016/J.Bpj.2012.11.1597  0.351
2013 Baday S, Wang S, Lamoureux G, Bernèche S. Two Distinct Transport Mechanisms in AmtB and RhCG Proteins Biophysical Journal. 104: 285a. DOI: 10.1016/J.Bpj.2012.11.1596  0.366
2012 Orabi EA, Lamoureux G. Cation-π and π-π Interactions in Aqueous Solution Studied Using Polarizable Potential Models. Journal of Chemical Theory and Computation. 8: 182-93. PMID 26592880 DOI: 10.1021/Ct200569X  0.384
2012 Wang S, Orabi EA, Baday S, Bernèche S, Lamoureux G. Ammonium transporters achieve charge transfer by fragmenting their substrate. Journal of the American Chemical Society. 134: 10419-27. PMID 22631217 DOI: 10.1021/Ja300129X  0.332
2012 Lamoureux G, Orabi EA. Molecular modelling of cation-π interactions Molecular Simulation. 38: 704-722. DOI: 10.1080/08927022.2012.696640  0.364
2011 Baday S, Wang S, Lamoureux G, Bernèche S. Investigating Ammonium Transport Mechanisms in AmtB and RhCG by Molecular Dynamics Simulations Biophysical Journal. 100: 579a. DOI: 10.1016/J.Bpj.2010.12.3346  0.361
2011 Wang S, Baday S, Orabi EA, Bernèche S, Lamoureux G. Permeation Mechanism in the AmtB Ammonium Transporter: Putative Electrogenic Co-Transport of NH3 and H+ Biophysical Journal. 100: 579a. DOI: 10.1016/J.Bpj.2010.12.3345  0.359
2011 Wang S, Baday S, Bernèche S, Lamoureux G. Investigating Co-Transport Mechanisms in the AmtB Ammonium Transporter using QM/MM Molecular Dynamics Biophysical Journal. 100: 578a-579a. DOI: 10.1016/J.Bpj.2010.12.3344  0.343
2010 Lamoureux G, Javelle A, Baday S, Wang S, Bernèche S. Transport mechanisms in the ammonium transporter family. Transfusion Clinique Et Biologique : Journal De La SociéTé FrançAise De Transfusion Sanguine. 17: 168-75. PMID 20674437 DOI: 10.1016/J.Tracli.2010.06.004  0.344
2010 Yu H, Whitfield TW, Harder E, Lamoureux G, Vorobyov I, Anisimov VM, Mackerell AD, Roux B. Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field. Journal of Chemical Theory and Computation. 6: 774-786. PMID 20300554 DOI: 10.1021/Ct900576A  0.58
2009 Lopes PE, Lamoureux G, Mackerell AD. Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator. Journal of Computational Chemistry. 30: 1821-38. PMID 19090564 DOI: 10.1002/Jcc.21183  0.333
2009 Lamoureux G, Faraldo-Gómez JD, Krupin S, Noskov SY. Polarizable model of chloroform based on classical Drude oscillators Chemical Physics Letters. 468: 270-274. DOI: 10.1016/J.Cplett.2008.12.002  0.595
2008 Blumberger J, Lamoureux G. Reorganization free energies and quantum corrections for a model electron self-exchange reaction: Comparison of polarizable and non-polarizable solvent models Molecular Physics. 106: 1597-1611. DOI: 10.1080/00268970802220112  0.369
2007 Blumberger J, Lamoureux G, Klein ML. Peptide Hydrolysis in Thermolysin:  Ab Initio QM/MM Investigation of the Glu143-Assisted Water Addition Mechanism. Journal of Chemical Theory and Computation. 3: 1837-50. PMID 26627626 DOI: 10.1021/Ct7000792  0.349
2007 Whitfield TW, Varma S, Harder E, Lamoureux G, Rempe SB, Roux B. A theoretical study of aqueous solvation of K comparing ab initio, polarizable, and fixed-charge models. Journal of Chemical Theory and Computation. 3: 2068-2082. PMID 21785577 DOI: 10.1021/Ct700172B  0.537
2007 Lopes PE, Lamoureux G, Roux B, Mackerell AD. Polarizable empirical force field for aromatic compounds based on the classical drude oscillator. The Journal of Physical Chemistry. B. 111: 2873-85. PMID 17388420 DOI: 10.1021/Jp0663614  0.485
2007 Lamoureux G, Klein ML, Bernèche S. A stable water chain in the hydrophobic pore of the AmtB ammonium transporter. Biophysical Journal. 92: L82-4. PMID 17351012 DOI: 10.1529/Biophysj.106.102756  0.366
2007 Dal Peraro M, Spiegel K, Lamoureux G, De Vivo M, DeGrado WF, Klein ML. Modeling the charge distribution at metal sites in proteins for molecular dynamics simulations. Journal of Structural Biology. 157: 444-53. PMID 17188512 DOI: 10.1016/J.Jsb.2006.10.019  0.349
2006 Lamoureux G, Roux B. Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field. The Journal of Physical Chemistry. B. 110: 3308-22. PMID 16494345 DOI: 10.1021/Jp056043P  0.509
2006 Lamoureux G, Harder E, Vorobyov IV, Roux B, MacKerell AD. A polarizable model of water for molecular dynamics simulations of biomolecules Chemical Physics Letters. 418: 245-249. DOI: 10.1016/J.Cplett.2005.10.135  0.533
2005 Anisimov VM, Lamoureux G, Vorobyov IV, Huang N, Roux B, MacKerell AD. Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude Oscillator. Journal of Chemical Theory and Computation. 1: 153-68. PMID 26641126 DOI: 10.1021/Ct049930P  0.508
2005 Noskov SY, Lamoureux G, Roux B. Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field. The Journal of Physical Chemistry. B. 109: 6705-13. PMID 16851754 DOI: 10.1021/Jp045438Q  0.612
2005 Anisimov VM, Lamoureux G, Vorobyov IV, Huang N, Roux B, MacKerell AD. Determination of electrostatic parameters for a polarizable force field based on the classical Drude oscillator Journal of Chemical Theory and Computation. 1: 153-168. DOI: 10.1021/ct049930p  0.379
2003 Lamoureux G, MacKerell AD, Roux B. A simple polarizable model of water based on classical drude oscillators Journal of Chemical Physics. 119: 5185-5197. DOI: 10.1063/1.1598191  0.516
2003 Lamoureux G, Roux B. Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm Journal of Chemical Physics. 119: 3025-3039. DOI: 10.1063/1.1589749  0.504
Show low-probability matches.