Enhanced sampling techniques in molecular dynamics simulations of biological systems
Background Molecular dynamics has emerged as an important research methodology
covering systems to the level of millions of atoms. However, insufficient sampling often limits …
covering systems to the level of millions of atoms. However, insufficient sampling often limits …
Different methods, techniques and their limitations in protein structure prediction: A review
Because of the increase in different types of diseases in human habitats, demands for
designing various types of drugs are also increasing. Protein and its structure play a very …
designing various types of drugs are also increasing. Protein and its structure play a very …
On the role of metaheuristic optimization in bioinformatics
Metaheuristic algorithms are employed to solve complex and large‐scale optimization
problems in many different fields, from transportation and smart cities to finance. This paper …
problems in many different fields, from transportation and smart cities to finance. This paper …
Self-Assembled Protein–Surfactant Nanoaggregates for Tunable Peptide Bond Hydrolysis by Polyoxometalate Nanoclusters
The development of robust artificial proteases is of crucial importance for the study of
proteins since natural proteases only retain their proteolytic activity under specific …
proteins since natural proteases only retain their proteolytic activity under specific …
Expanding the scope of polyoxometalates as artificial proteases towards hydrolysis of insoluble proteins
Despite the enormous importance of insoluble proteins in biological processes, their
structural investigation remains a challenging task. The development of artificial enzyme …
structural investigation remains a challenging task. The development of artificial enzyme …
Finding the needle in the haystack: towards solving the protein-folding problem computationally
B Li, M Fooksa, S Heinze, J Meiler - Critical reviews in biochemistry …, 2018 - Taylor & Francis
Prediction of protein tertiary structures from amino acid sequence and understanding the
mechanisms of how proteins fold, collectively known as “the protein folding problem,” has …
mechanisms of how proteins fold, collectively known as “the protein folding problem,” has …
A balance-evolution artificial bee colony algorithm for protein structure optimization based on a three-dimensional AB off-lattice model
Protein structure prediction is a fundamental issue in the field of computational molecular
biology. In this paper, the AB off-lattice model is adopted to transform the original protein …
biology. In this paper, the AB off-lattice model is adopted to transform the original protein …
Soft computing methods for the prediction of protein tertiary structures: A survey
The problem of protein structure prediction (PSP) represents one of the most important
challenges in computational biology. Determining the three dimensional structure of proteins …
challenges in computational biology. Determining the three dimensional structure of proteins …
Investigation of machine learning techniques on proteomics: A comprehensive survey
Proteomics is the extensive investigation of proteins which has empowered the recognizable
proof of consistently expanding quantities of protein. Proteins are necessary part of living life …
proof of consistently expanding quantities of protein. Proteins are necessary part of living life …
Performance evaluation of ingenious crow search optimization algorithm for protein structure prediction
Protein structure prediction is one of the important aspects while dealing with critical
diseases. An early prediction of protein folding helps in clinical diagnosis. In recent years …
diseases. An early prediction of protein folding helps in clinical diagnosis. In recent years …