Related papers: Folding@Home and Genome@Home: Using distributed co…
The distributed computing is done on many systems to solve a large scale problem. The growing of high-speed broadband networks in developed and developing countries, the continual increase in computing power, and the rapid growth of the…
Significant progress in computer hardware and software have enabled molecular dynamics (MD) simulations to model complex biological phenomena such as protein folding. However, enabling MD simulations to access biologically relevant…
Protein folding, which dictates the protein structure from its amino acid sequence, is half a century old problem of biology. The function of the protein correlates with its structure, emphasizing the need of understanding protein folding…
Many researches have been working on the protein folding problem from more than half century. Protein folding is indeed one of the major unsolved problems in science. In this work, we discuss a model for the simulation of protein…
Molecular docking is a critical computational strategy in drug design and discovery, but the complex diversity of biomolecular structures and flexible binding conformations create an enormous search space that challenges conventional…
Exploring and understanding the protein-folding problem has been a long-standing challenge in molecular biology. Here, using molecular dynamics simulation, we reveal how parallel distributed adjacent planar peptide groups of unfolded…
Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…
High-throughput computing projects require the solution of large numbers of problems. In many cases, these problems can be solved on desktop PCs, or can be broken down into independent "PC-solvable" sub-problems. In such cases, the projects…
Increasingly sophisticated experiments, coupled with large-scale computational models, have the potential to systematically test biological hypotheses to drive our understanding of multicellular systems. In this short review, we explore key…
Accurate physical modeling with 3D-printing techniques could lead to new approaches to study structure and dynamics of biological systems complementing computational methods. Computational biology has become an important part of research…
In spite of decades of research, much remains to be discovered about folding: the detailed structure of the initial (unfolded) state, vestigial folding instructions remaining only in the unfolded state, the interaction of the molecule with…
The applicability of computational models to the biological world is an active topic of debate. We argue that a useful path forward results from abandoning hard boundaries between categories and adopting an observer-dependent, pragmatic…
Present quantum computers are constrained by limited qubit capacity and restricted physical connectivity, leading to challenges in large-scale quantum computations. Distributing quantum computations across a network of quantum computers is…
This paper is about how to partition decision variables while decomposing a large-scale optimization problem for the best performance of distributed solution methods. Solving a large-scale optimization problem sequen- tially can be…
The emerging paradigm of distributed quantum computing promises a potential solution to scaling quantum computing to currently unfeasible dimensions. While this approach itself is still in its infancy, and many obstacles must still be…
The emerging field of quantum computing has shown it might change how we process information by using the unique principles of quantum mechanics. As researchers continue to push the boundaries of quantum technologies to unprecedented…
The recent development of quantum computing, which uses entanglement, superposition, and other quantum fundamental concepts, can provide substantial processing advantages over traditional computing. These quantum features help solve many…
Computing has passed through many transformations since the birth of the first computing machines. Developments in technology have resulted in the availability of fast and inexpensive processors, and progresses in communication technology…
Quantitative methods and mathematical modeling are playing an increasingly important role across disciplines. As a result, interdisciplinary mathematics courses are increasing in popularity. However, teaching such courses at an advanced…
Novel sampling algorithms can significantly impact open questions in computational biology, most notably the in silico protein folding problem. By using computational methods, protein folding aims to find the three-dimensional structure of…