Combining structural aggregation propensity and stability predictions to redesign protein solubility

M Gil-Garcia, M Bano-Polo, N Varejao… - Molecular …, 2018 - ACS Publications
The aggregation propensity of each particular protein seems to be shaped by evolution
according to its natural abundance in the cell. The production and downstream processing …

AGGRESCAN3D: toward the prediction of the aggregation propensities of protein structures

J Pujols, S Peña-Díaz, S Ventura - Computational Drug Discovery and …, 2018 - Springer
Protein aggregation is responsible for the onset and spread of many human diseases,
ranging from neurodegenerative disorders to cancer and diabetes. Moreover, it is one of the …

Aggrescan3D (A3D) 2.0: prediction and engineering of protein solubility

A Kuriata, V Iglesias, J Pujols, M Kurcinski… - Nucleic acids …, 2019 - academic.oup.com
Protein aggregation is a hallmark of a growing number of human disorders and constitutes a
major bottleneck in the manufacturing of therapeutic proteins. Therefore, there is a strong …

Aggrescan3D standalone package for structure-based prediction of protein aggregation properties

A Kuriata, V Iglesias, M Kurcinski, S Ventura… - …, 2019 - academic.oup.com
Abstract Summary Aggrescan3D (A3D) standalone is a multiplatform Python package for
structure-based prediction of protein aggregation properties and rational design of protein …

Computational re-design of protein structures to improve solubility

S Navarro, S Ventura - Expert Opinion on Drug Discovery, 2019 - Taylor & Francis
Introduction: The rapid development of protein therapeutics is providing life-saving therapies
for a wide range of human diseases. However, degradation reactions limit the quality and …

AGGRESCAN: method, application, and perspectives for drug design

NS De Groot, V Castillo, R Graña-Montes… - … drug discovery and …, 2012 - Springer
Protein aggregation underlies the development of an increasing number of conformational
human diseases of growing incidence, such as Alzheimer's and Parkinson's diseases …

Aggrescan4D: structure-informed analysis of pH-dependent protein aggregation

O Bárcenas, A Kuriata, M Zalewski… - Nucleic Acids …, 2024 - academic.oup.com
Protein aggregation is behind the genesis of incurable diseases and imposes constraints on
drug discovery and the industrial production and formulation of proteins. Over the years, we …

Computational analysis of the amino acid interactions that promote or decrease protein solubility

Q Hou, R Bourgeas, F Pucci, M Rooman - Scientific reports, 2018 - nature.com
The solubility of globular proteins is a basic biophysical property that is usually a
prerequisite for their functioning. In this study, we probed the solubility of globular proteins …

[HTML][HTML] Computational prediction of protein aggregation: Advances in proteomics, conformation-specific algorithms and biotechnological applications

J Santos, J Pujols, I Pallarès, V Iglesias… - Computational and …, 2020 - Elsevier
Protein aggregation is a widespread phenomenon that stems from the establishment of non-
native intermolecular contacts resulting in protein precipitation. Despite its deleterious …

Solubis: a webserver to reduce protein aggregation through mutation

J Van Durme, G De Baets… - Protein Engineering …, 2016 - academic.oup.com
Protein aggregation is a major factor limiting the biotechnological and therapeutic
application of many proteins, including enzymes and monoclonal antibodies. The molecular …