Results 11 to 20 of about 88 (86)
An algebraic graph neural network model for protein-ligand binding affinity prediction
Computational and Mathematical BiophysicsPredicting protein-ligand binding affinity is a fundamental challenge in drug discovery. Recent advances in deep learning have led to the development of numerous models, many of which rely on three-dimensional protein-ligand complex structures and focus ...
Ouru Augustine +3 more
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Critical lack of equilibrium in stochastic kinetic proofreading
European Journal of Applied MathematicsIn this paper, we study the relation between the property of detailed balance and the ability of discriminating between different ligands for a class of stochastic models of kinetic proofreading.
Eugenia Franco, Juan J. L. Velázquez
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Computational and Mathematical BiophysicsVariational implicit solvation models (VISMs) have gained extensive popularity in the molecular-level solvation analysis of biological systems due to their cost-effectiveness and satisfactory accuracy.
Shao Yuanzhen, Chen Zhan, Zhao Shan
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A Study of Computational Genome Assembly by Graph Theory
Annals of the West University of Timisoara: Mathematics and Computer ScienceThe assembly of billions of short sequencing reads into a contiguous genome is a daunting task. The foundation knowledge of current DNA assembly models is concentrated among a select group, where the solution to the genome assembly challenge lies in ...
Sarkar Bijan
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Using game theory to detect genes involved in Autism Spectrum Disorder
Cooperative games, Gene expression, Microarrays, 91A12, 91A80, 92B15, 92C40,
Francisco Esteban, Dennis Wall
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Travelling Wave Solutions in a Tissue Interaction Model for Skin Pattern Formation
, 2003 1991 Mathematics Subject Classification. 34C37, 92C37, 92C40.We discuss the existence and the uniqueness of travelling wave solutions for a tissue interaction model on skin pattern formation proposed by Cruywagen and Murray.
Ai, Shangbing +2 more
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, 2007 . A practical introduction to stochastic modelling of reaction-diffusion processes is presented. No prior knowledge of stochastic simulations is assumed. The methods are explained using illustrative examples.
Radek Erban +3 more
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Quaternionic Response Geometry for Proteins: Toward a Noncommutative Theory of Ordered Deformations
Protein function may depend not only on endpoint conformations but also on the ordered deformation histories through which they are reached. This distinction is relevant to allostery, conformational switching, mutation-induced rearrangements , and ...
Miloud Bessafi +8 more
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Combinatorics Of RNA Secondary Structures
, 1996 Secondary structures of polynucleotides can be view as a certain class of planar vertex-labeled graphs. We construct recursion formulae enumerating various sub-classes of these graphs as well as certain structural elements (sub-graphs).
Ivo L. Hofacker +2 more
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Isotropic Effective Energy Simulated Annealing Searches for Low Energy Molecular Cluster States
, 1992 . The search for low energy states of molecular clusters is associated with the study of molecular conformation and especially protein folding. This paper describes a new global minimization algorithm which is effective and efficient for finding low ...
Thomas Coleman +5 more
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