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João M. Damas
João M. Damas
Syngenta Crop Protection R&D
Verified email at syngenta.com
Title
Cited by
Cited by
Year
A scalable molecular force field parameterization method based on density functional theory and quantum-level machine learning
R Galvelis, S Doerr, JM Damas, MJ Harvey, G De Fabritiis
Journal of chemical information and modeling 59 (8), 3485-3493, 2019
722019
The multicopper oxidase from the archaeon Pyrobaculum aerophilum shows nitrous oxide reductase activity
AT Fernandes, JM Damas, S Todorovic, R Huber, MC Baratto, R Pogni, ...
The FEBS journal 277 (15), 3176-3189, 2010
652010
Structural consequences of ATP hydrolysis on the ABC transporter NBD dimer: molecular dynamics studies of HlyB
JM Damas, ASF Oliveira, AM Baptista, CM Soares
Protein Science 20 (7), 1220-1230, 2011
612011
The role of Asp116 in the reductive cleavage of dioxygen to water in CotA laccase: assistance during the proton-transfer mechanism
CS Silva, JM Damas, Z Chen, V Brissos, LO Martins, CM Soares, ...
Acta Crystallographica Section D: Biological Crystallography 68 (2), 186-193, 2012
402012
Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX
G Volkers, JM Damas, GJ Palm, S Panjikar, CM Soares, W Hinrichs
Acta Crystallographica Section D: Biological Crystallography 69 (9), 1758-1767, 2013
352013
Predicting the thermodynamics and kinetics of helix formation in a cyclic peptide model
JM Damas, LCS Filipe, SRR Campos, D Lousa, BL Victor, AM Baptista, ...
Journal of chemical theory and computation 9 (11), 5148-5157, 2013
342013
Exploring O2 Diffusion in A-Type Cytochrome c Oxidases: Molecular Dynamics Simulations Uncover Two Alternative Channels towards the Binuclear Site
ASF Oliveira, JM Damas, AM Baptista, CM Soares
PLoS computational biology 10 (12), e1004010, 2014
272014
High-throughput automated preparation and simulation of membrane proteins with HTMD
S Doerr, T Giorgino, G Martínez-Rosell, JM Damas, G De Fabritiis
Journal of Chemical Theory and Computation 13 (9), 4003-4011, 2017
252017
The Pathway for O2 Diffusion inside CotA Laccase and Possible Implications on the Multicopper Oxidases Family
JM Damas, AM Baptista, CM Soares
Journal of Chemical Theory and Computation 10 (8), 3525–3531, 2014
202014
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