D. E. B. Gomes

发表

Molecular dynamics study of biomembrane/local anesthetics interactions

Pedro G. Pascutti, Rafael C. Bernardi, Carlton A. Taft, 2009 .

The role of nonbonded interactions in the conformational dynamics of organophosphorous hydrolase adsorbed onto functionalized mesoporous silica surfaces.

P. Pascutti, R. Lins, T. Soares, 2010, The journal of physical chemistry. B.

Molecular Origins of Force-Dependent Protein Complex Stabilization during Bacterial Infections.

Marcelo C. R. Melo, D. E. B. Gomes, R. C. Bernardi, 2022, Journal of the American Chemical Society.

Protein structure prediction in the era of AI: Challenges and limitations when applying to in silico force spectroscopy

D. E. B. Gomes, R. C. Bernardi, D. Gomes, 2022, bioRxiv.

The Glycine Receptor Allosteric Ligands Library (GRALL)

Jean-Pierre Changeux, Adrien H. Cerdan, Marion Sisquellas, 2020, Bioinform..

May the force be with you: The role of hyper-mechanostability of the bone sialoprotein binding protein during early stages of Staphylococci infections

D. E. B. Gomes, Margaret C. Pace, M. Pace, 2022, bioRxiv.

Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase

Tjerk P. Straatsma, Roberto D. Lins, Diego E. B. Gomes, 2008, BSB.

A Linear Interaction Energy Model for Cavitand Host-Guest Binding Affinities.

M. Cecchini, D. E. B. Gomes, J. J. Montalvo‐Acosta, 2018, The journal of physical chemistry. B.

Bridging the gab between in vitro and in silico single-molecule force spectroscopy

Marcelo C. R. Melo, D. E. B. Gomes, R. C. Bernardi, 2022, bioRxiv.

ChemFlow—From 2D Chemical Libraries to Protein–Ligand Binding Free Energies

M. Cecchini, D. E. B. Gomes, Cédric Bouysset, 2023, J. Chem. Inf. Model..

Conformational variability of organophosphorus hydrolase upon soman and paraoxon binding.

P. Pascutti, R. Lins, T. Soares, 2011, The journal of physical chemistry. B.