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Bacterial flagellar motor PL-ring disassembly subcomplexes are widespread and ancient

Proceedings of the National Academy of Sciences - PNAS, 2020-04, Vol.117 (16), p.8941-8947

2020

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Structural insights into binding specificity, efficacy and bias of a β2AR partial agonist

Nature chemical biology, 2018-11, Vol.14 (11), p.1059-1066

2018

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pdb-tools: a swiss army knife for molecular structures [version 1; peer review: 2 approved]

F1000 research, 2018, Vol.7, p.1961-1961

2018

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Defining distance restraints in HADDOCK

Nature protocols, 2018-07, Vol.13 (7), p.1503-1503

2018

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Sequence co-evolution gives 3D contacts and structures of protein complexes

eLife, 2014-09, Vol.3

2014

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Insights on cross-species transmission of SARS-CoV-2 from structural modeling

PLoS computational biology, 2020-12, Vol.16 (12), p.e1008449

2020

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The solution structure of monomeric CCL5 in complex with a doubly sulfated N‐terminal segment of CCR5

The FEBS journal, 2018-06, Vol.285 (11), p.1988-2003

2018

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KoBaMIN: a knowledge-based minimization web server for protein structure refinement

Nucleic acids research, 2012-07, Vol.40 (Web Server issue), p.W323-W328

2012

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Integrative computational modeling of protein interactions

The FEBS journal, 2014-04, Vol.281 (8), p.1988-2003

2014

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Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation

Journal of chemical theory and computation, 2024-01, Vol.20 (1), p.477-489

2024

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PDB‐tools web: A user‐friendly interface for the manipulation of PDB files

Proteins, structure, function, and bioinformatics, 2021-03, Vol.89 (3), p.330-335

2021

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Less Is More: Coarse-Grained Integrative Modeling of Large Biomolecular Assemblies with HADDOCK

Journal of chemical theory and computation, 2019-11, Vol.15 (11), p.6358-6367

2019

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Binding Hotspots of BAZ2B Bromodomain: Histone Interaction Revealed by Solution NMR Driven Docking

Biochemistry (Easton), 2014-10, Vol.53 (42), p.6706-6716

2014

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Clustering biomolecular complexes by residue contacts similarity

Proteins, structure, function, and bioinformatics, 2012-07, Vol.80 (7), p.1810-1817

2012

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Environmental Co-Exposure to Lead and Manganese and Intellectual Deficit in School-Aged Children

International journal of environmental research and public health, 2018-10, Vol.15 (11), p.2418

2018

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Chemistry and Atomic Distortion at the Surface of an Epitaxial BaTiO3 Thin Film after Dissociative Adsorption of Water

Journal of physical chemistry. C, 2012-10, Vol.116 (41), p.21802-21809

2012

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The Supramolecular Organization of a Peptide-Based Nanocarrier at High Molecular Detail

Journal of the American Chemical Society, 2015-06, Vol.137 (24), p.7775-7784

2015

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Structural models of human ACE2 variants with SARS-CoV-2 Spike protein for structure-based drug design

Scientific data, 2020-09, Vol.7 (1), p.309, Article 309

2020

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Sequestrating anionic and cationic dyes from wastewater using spray dried biopolymeric magnetic composite: Experimental and theoretical studies

Journal of hazardous materials, 2019-12, Vol.380, p.120872-120872, Article 120872

2019

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Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2

Journal of computer-aided molecular design, 2018-01, Vol.32 (1), p.175-185

2018

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Predicting the Specificity- Determining Positions of Receptor Tyrosine Kinase Axl

Frontiers in molecular biosciences, 2021-06, Vol.8, p.658906-658906

2021

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M3: an integrative framework for structure determination of molecular machines

Nature methods, 2017-09, Vol.14 (9), p.897-902

2017

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Sense and simplicity in HADDOCK scoring: Lessons from CASP‐CAPRI round 1

Proteins, structure, function, and bioinformatics, 2017-03, Vol.85 (3), p.417-423

2017

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Noncommutative cosmological models induced by a symplectic formalism coupled to phantom fluids

International journal of modern physics. A, Particles and fields, gravitation, cosmology, 2019-11, Vol.34 (31), p.1950206

2019

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The U11 PGM beam line at the Brazilian National Synchrotron Light Laboratory

Journal of physics. Conference series, 2013, Vol.425 (7), p.72015

2013

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Bacterial flagellar motor PL-ring disassembly subcomplexes are widespread and ancient

Structural insights into binding specificity, efficacy and bias of a β2AR partial agonist

pdb-tools: a swiss army knife for molecular structures [version 1; peer review: 2 approved]

Defining distance restraints in HADDOCK

Sequence co-evolution gives 3D contacts and structures of protein complexes

Insights on cross-species transmission of SARS-CoV-2 from structural modeling

The solution structure of monomeric CCL5 in complex with a doubly sulfated N‐terminal segment of CCR5

KoBaMIN: a knowledge-based minimization web server for protein structure refinement

Integrative computational modeling of protein interactions

Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation

PDB‐tools web: A user‐friendly interface for the manipulation of PDB files

Less Is More: Coarse-Grained Integrative Modeling of Large Biomolecular Assemblies with HADDOCK

Binding Hotspots of BAZ2B Bromodomain: Histone Interaction Revealed by Solution NMR Driven Docking

Clustering biomolecular complexes by residue contacts similarity

Environmental Co-Exposure to Lead and Manganese and Intellectual Deficit in School-Aged Children

Chemistry and Atomic Distortion at the Surface of an Epitaxial BaTiO3 Thin Film after Dissociative Adsorption of Water

The Supramolecular Organization of a Peptide-Based Nanocarrier at High Molecular Detail

Structural models of human ACE2 variants with SARS-CoV-2 Spike protein for structure-based drug design

Sequestrating anionic and cationic dyes from wastewater using spray dried biopolymeric magnetic composite: Experimental and theoretical studies

Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2

Predicting the Specificity- Determining Positions of Receptor Tyrosine Kinase Axl

M3: an integrative framework for structure determination of molecular machines

Sense and simplicity in HADDOCK scoring: Lessons from CASP‐CAPRI round 1

Noncommutative cosmological models induced by a symplectic formalism coupled to phantom fluids

The U11 PGM beam line at the Brazilian National Synchrotron Light Laboratory

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