Web-based tools for computational enzyme design

SM Marques, J Planas-Iglesias, J Damborsky - Current Opinion in Structural …, 2021 - Elsevier
Highlights•Enzymes are increasingly used in technological applications but often require
prior optimization.•Computational tools save time and effort in protein engineering …

How can we discover developable antibody-based biotherapeutics?

J Bauer, N Rajagopal, P Gupta, P Gupta… - Frontiers in Molecular …, 2023 - frontiersin.org
Antibody-based biotherapeutics have emerged as a successful class of pharmaceuticals
despite significant challenges and risks to their discovery and development. This review …

Protein aggregation: in silico algorithms and applications

R Prabakaran, P Rawat, AM Thangakani, S Kumar… - Biophysical …, 2021 - Springer
Protein aggregation is a topic of immense interest to the scientific community due to its role
in several neurodegenerative diseases/disorders and industrial importance. Several in silico …

Exploring the sequence features determining amyloidosis in human antibody light chains

P Rawat, R Prabakaran, S Kumar, MM Gromiha - Scientific Reports, 2021 - nature.com
The light chain (AL) amyloidosis is caused by the aggregation of light chain of antibodies
into amyloid fibrils. There are plenty of computational resources available for the prediction …

Revolutionizing enzyme engineering through artificial intelligence and machine learning

N Singh, S Malik, A Gupta… - Emerging Topics in Life …, 2021 - portlandpress.com
The combinatorial space of an enzyme sequence has astronomical possibilities and
exploring it with contemporary experimental techniques is arduous and often ineffective …

Machine learning approaches in diagnosis, prognosis and treatment selection of cardiac amyloidosis

A Allegra, G Mirabile, A Tonacci, S Genovese… - International Journal of …, 2023 - mdpi.com
Cardiac amyloidosis is an uncommon restrictive cardiomyopathy featuring an unregulated
amyloid protein deposition that impairs organic function. Early cardiac amyloidosis …

CPAD 2.0: a repository of curated experimental data on aggregating proteins and peptides

P Rawat, R Prabakaran, R Sakthivel… - Amyloid, 2020 - Taylor & Francis
Abstract The Curated Protein Aggregation Database (CPAD) is a manually curated and
open-access database dedicated to providing comprehensive information related to …

Understanding the mutational frequency in SARS-CoV-2 proteome using structural features

P Rawat, D Sharma, M Pandey, R Prabakaran… - Computers in biology …, 2022 - Elsevier
The prolonged transmission of the severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) virus in the human population has led to demographic divergence and the …

[HTML][HTML] Protein Condensates and Protein Aggregates: In Vitro, in the Cell, and In Silico

K Venko, E Žerovnik - Frontiers in Bioscience-Landmark, 2023 - imrpress.com
Similar to other polypeptides and electrolytes, proteins undergo phase transitions, obeying
physicochemical laws. They can undergo liquid-to-gel and liquid-to-liquid phase transitions …

MPTherm-pred: analysis and prediction of thermal stability changes upon mutations in transmembrane proteins

A Kulandaisamy, J Zaucha, D Frishman… - Journal of molecular …, 2021 - Elsevier
The stability of membrane proteins differs from globular proteins due to the presence of
nonpolar membrane-spanning regions. Using a dataset of 929 membrane protein mutations …