J. Damas

发表

PlayMolecule Parameterize: a Scalable Molecular Force Field Parameterization Method Based on Quantum-Level Machine Learning

M. Harvey, G. D. Fabritiis, G. de Fabritiis, 2019 .

Predicting the Thermodynamics and Kinetics of Helix Formation in a Cyclic Peptide Model.

Bruno L. Victor, C. Soares, A. Baptista, 2013, Journal of chemical theory and computation.

A Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning

Gianni De Fabritiis, Matt J. Harvey, Stefan Doerr, 2019, J. Chem. Inf. Model..

High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD.

Toni Giorgino, Gianni De Fabritiis, Gerard Martínez-Rosell, 2017, Journal of chemical theory and computation.

The Pathway for O2 Diffusion inside CotA Laccase and Possible Implications on the Multicopper Oxidases Family.

C. Soares, A. Baptista, J. Damas, 2014, Journal of chemical theory and computation.

Inguinal hernia: a patch covering only the myopectineal orifice is effective

J. Damas, D. Blum, É. Pélissier, 2001, Hernia.

The plug method in inguinal hernia: a prospective evaluation

J. Damas, D. Blum, É. Pélissier, 1999, Hernia.

Groin hernias: features of recurrences

J. Damas, E. Pélissier, D. Blum, 2000, Hernia.

The multicopper oxidase from the archaeon Pyrobaculum aerophilum shows nitrous oxide reductase activity

R. Huber, C. Soares, R. Pogni, 2010, The FEBS journal.

The role of Asp116 in the reductive cleavage of dioxygen to water in CotA laccase: assistance during the proton-transfer mechanism.

C. Soares, J. Damas, L. O. Martins, 2012, Acta crystallographica. Section D, Biological crystallography.

[Treatment of inguinal hernia in the adult: results of tension-free procedures].

J. Damas, É. Pélissier, A. Penchet, 2001, Annales de chirurgie.

Exploring O2 Diffusion in A-Type Cytochrome c Oxidases: Molecular Dynamics Simulations Uncover Two Alternative Channels towards the Binuclear Site

António M. Baptista, A. Sofia F. Oliveira, Cláudio M. Soares, 2014, PLoS Comput. Biol..

Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX.

C. Soares, W. Hinrichs, S. Panjikar, 2013, Acta crystallographica. Section D, Biological crystallography.

Structural consequences of ATP hydrolysis on the ABC transporter NBD dimer: Molecular dynamics studies of HlyB

C. Soares, A. Baptista, J. Damas, 2011, Protein science : a publication of the Protein Society.