A Polarizable Force Field of Dipalmitoylphosphatidylcholine Based on the Classical Drude Model for Molecular Dynamics Simulations of Lipids
Chowdhary, Janamejaya, Harder, Edward, Lopes, Pedro E. M, Huang, Lei, MacKerell, Alexander D, Roux, Benoît
Published in The journal of physical chemistry. B (08.08.2013)
Published in The journal of physical chemistry. B (08.08.2013)
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Journal Article
Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model
Huang, Jing, Lopes, Pedro E. M, Roux, Benoît, MacKerell, Alexander D
Published in The journal of physical chemistry letters (18.09.2014)
Published in The journal of physical chemistry letters (18.09.2014)
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Journal Article
Book Review
Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields
Lin, Bin, Lopes, Pedro E M, Roux, Benoît, MacKerell, Jr, Alexander D
Published in The Journal of chemical physics (28.08.2013)
Published in The Journal of chemical physics (28.08.2013)
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Journal Article
Thermal inkjet printing of polyaniline on paper
Gomes, T.C., Constantino, C.J.L., Lopes, E.M., Job, A.E., Alves, N.
Published in Thin solid films (01.10.2012)
Published in Thin solid films (01.10.2012)
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Journal Article
Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude Oscillator
Harder, Edward, Anisimov, Victor M, Vorobyov, Igor V, Lopes, Pedro E. M, Noskov, Sergei Y, MacKerell, Alexander D, Roux, Benoît
Published in Journal of chemical theory and computation (01.11.2006)
Published in Journal of chemical theory and computation (01.11.2006)
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Journal Article
Intrinsic Energy Landscapes of Amino Acid Side-Chains
Zhu, Xiao, Lopes, Pedro E.M, Shim, Jihyun, MacKerell, Alexander D
Published in Journal of chemical information and modeling (25.06.2012)
Published in Journal of chemical information and modeling (25.06.2012)
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Journal Article
Theoretical and experimental study of the excitonic binding energy in GaAs/AlGaAs single and coupled double quantum wells
Lopes, E.M., César, D.F., Franchello, F., Duarte, J.L., Dias, I.F.L., Laureto, E., Elias, D.C., Pereira, M.V.M., Guimarães, P.S.S., Quivy, A.A.
Published in Journal of luminescence (01.12.2013)
Published in Journal of luminescence (01.12.2013)
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Journal Article
Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field
Baker, Christopher M, Lopes, Pedro E. M, Zhu, Xiao, Roux, Benoît, MacKerell, Alexander D
Published in Journal of chemical theory and computation (13.04.2010)
Published in Journal of chemical theory and computation (13.04.2010)
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Journal Article
Six-site polarizable model of water based on the classical Drude oscillator
Yu, Wenbo, Lopes, Pedro E M, Roux, Benoît, MacKerell, Jr, Alexander D
Published in The Journal of chemical physics (21.01.2013)
Published in The Journal of chemical physics (21.01.2013)
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Journal Article
Successful weaning from mechanical ventilation after coronary angioplasty
Demoule, A., Lefort, Y., Lopes, M.-E., Lemaire, F.
Published in British journal of anaesthesia : BJA (01.08.2004)
Published in British journal of anaesthesia : BJA (01.08.2004)
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Journal Article
Glucosylpolyphenols as Inhibitors of Aβ-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane Permeability, and Exploratory Target Assessment within the Scope of Type 2 Diabetes and Alzheimer’s Disease
de Matos, Ana M, Blázquez-Sánchez, M. Teresa, Bento-Oliveira, Andreia, de Almeida, Rodrigo F. M, Nunes, Rafael, Lopes, Pedro E. M, Machuqueiro, Miguel, Cristóvão, Joana S, Gomes, Cláudio M, Souza, Cleide S, El Idrissi, Imane G, Colabufo, Nicola A, Diniz, Ana, Marcelo, Filipa, Oliveira, M. Conceição, López, Óscar, Fernandez-Bolaños, José G, Dätwyler, Philipp, Ernst, Beat, Ning, Ke, Garwood, Claire, Chen, Beining, Rauter, Amélia P
Published in Journal of medicinal chemistry (22.10.2020)
Published in Journal of medicinal chemistry (22.10.2020)
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Journal Article
Severe COVID‐19 outcomes in patients with psoriasis
Lima, X.T., Cueva, M.A., Lopes, E.M., Alora, M.B.
Published in Journal of the European Academy of Dermatology and Venereology (01.12.2020)
Published in Journal of the European Academy of Dermatology and Venereology (01.12.2020)
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Journal Article
Web Resource
Effect of the sintering temperature on the properties of nanocrystalline Ca1―xSmxMnO3 (0 ≤ x ≤ 0.4) powders
MATOS, I, SERIO, S, LOPES, M. E, NUNES, M. R, MELO JORGE, M. E
Published in Journal of alloys and compounds (06.10.2011)
Published in Journal of alloys and compounds (06.10.2011)
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