LIPIcs, Volume 248, ISAAC 2022, Complete Volume

LIPIcs, Volume 248, ISAAC 2022, Complete Volum

LIPIcs, Volume 261, ICALP 2023, Complete Volume

LIPIcs, Volume 261, ICALP 2023, Complete Volum

Applications of Molecular Dynamics simulations for biomolecular systems and improvements to density-based clustering in the analysis

Molecular Dynamics simulations provide a powerful tool to study biomolecular systems with atomistic detail. The key to better understand the function and behaviour of these molecules can often be found in their structural variability. Simulations can help to expose this information that is otherwise experimentally hard or impossible to attain. This work covers two application examples for which a sampling and a characterisation of the conformational ensemble could reveal the structural basis to answer a topical research question. For the fungal toxin phalloidin—a small bicyclic peptide—observed product ratios in different cyclisation reactions could be rationalised by assessing the conformational pre-organisation of precursor fragments. For the C-type lectin receptor langerin, conformational changes induced by different side-chain protonations could deliver an explanation of the pH-dependency in the protein’s calcium-binding. The investigations were accompanied by the continued development of a density-based clustering protocol into a respective software package, which is generally well applicable for the use case of extracting conformational states from Molecular Dynamics data

Neutrosophic Theory and its Applications : Collected Papers - vol. 1

Neutrosophic Theory means Neutrosophy applied in many fields in order to solve problems related to indeterminacy. Neutrosophy is a new branch of philosophy that studies the origin, nature, and scope of neutralities, as well as their interactions with different ideational spectra. This theory considers every entity together with its opposite or negation and with their spectrum of neutralities in between them (i.e. entities supporting neither nor ). The and ideas together are referred to as . Neutrosophy is a generalization of Hegel\u27s dialectics (the last one is based on and only). According to this theory every entity tends to be neutralized and balanced by and entities - as a state of equilibrium. In a classical way , , are disjoint two by two. But, since in many cases the borders between notions are vague, imprecise, Sorites, it is possible that , , (and of course) have common parts two by two, or even all three of them as well. Hence, in one hand, the Neutrosophic Theory is based on the triad , , and . In the other hand, Neutrosophic Theory studies the indeterminacy, labelled as I, with In = I for n ≥ 1, and mI + nI = (m+n)I, in neutrosophic structures developed in algebra, geometry, topology etc. The most developed fields of the Neutrosophic Theory are Neutrosophic Set, Neutrosophic Logic, Neutrosophic Probability, and Neutrosophic Statistics - that started in 1995, and recently Neutrosophic Precalculus and Neutrosophic Calculus, together with their applications in practice. Neutrosophic Set and Neutrosophic Logic are generalizations of the fuzzy set and respectively fuzzy logic (especially of intuitionistic fuzzy set and respectively intuitionistic fuzzy logic). In neutrosophic logic a proposition has a degree of truth (T), a degree of indeterminacy (I), and a degree of falsity (F), where T, I, F are standard or non-standard subsets of ]-0, 1+[. Neutrosophic Probability is a generalization of the classical probability and imprecise probability. Neutrosophic Statistics is a generalization of the classical statistics. What distinguishes the neutrosophics from other fields is the , which means neither nor . And , which of course depends on , can be indeterminacy, neutrality, tie (game), unknown, contradiction, vagueness, ignorance, incompleteness, imprecision, etc

Shortest Route at Dynamic Location with Node Combination-Dijkstra Algorithm

Abstract— Online transportation has become a basic requirement of the general public in support of all activities to go to work, school or vacation to the sights. Public transportation services compete to provide the best service so that consumers feel comfortable using the services offered, so that all activities are noticed, one of them is the search for the shortest route in picking the buyer or delivering to the destination. Node Combination method can minimize memory usage and this methode is more optimal when compared to A* and Ant Colony in the shortest route search like Dijkstra algorithm, but can’t store the history node that has been passed. Therefore, using node combination algorithm is very good in searching the shortest distance is not the shortest route. This paper is structured to modify the node combination algorithm to solve the problem of finding the shortest route at the dynamic location obtained from the transport fleet by displaying the nodes that have the shortest distance and will be implemented in the geographic information system in the form of map to facilitate the use of the system. Keywords— Shortest Path, Algorithm Dijkstra, Node Combination, Dynamic Location (key words

Advances and Applications of DSmT for Information Fusion. Collected Works, Volume 5

This fifth volume on Advances and Applications of DSmT for Information Fusion collects theoretical and applied contributions of researchers working in different fields of applications and in mathematics, and is available in open-access. The collected contributions of this volume have either been published or presented after disseminating the fourth volume in 2015 in international conferences, seminars, workshops and journals, or they are new. The contributions of each part of this volume are chronologically ordered. First Part of this book presents some theoretical advances on DSmT, dealing mainly with modified Proportional Conflict Redistribution Rules (PCR) of combination with degree of intersection, coarsening techniques, interval calculus for PCR thanks to set inversion via interval analysis (SIVIA), rough set classifiers, canonical decomposition of dichotomous belief functions, fast PCR fusion, fast inter-criteria analysis with PCR, and improved PCR5 and PCR6 rules preserving the (quasi-)neutrality of (quasi-)vacuous belief assignment in the fusion of sources of evidence with their Matlab codes. Because more applications of DSmT have emerged in the past years since the apparition of the fourth book of DSmT in 2015, the second part of this volume is about selected applications of DSmT mainly in building change detection, object recognition, quality of data association in tracking, perception in robotics, risk assessment for torrent protection and multi-criteria decision-making, multi-modal image fusion, coarsening techniques, recommender system, levee characterization and assessment, human heading perception, trust assessment, robotics, biometrics, failure detection, GPS systems, inter-criteria analysis, group decision, human activity recognition, storm prediction, data association for autonomous vehicles, identification of maritime vessels, fusion of support vector machines (SVM), Silx-Furtif RUST code library for information fusion including PCR rules, and network for ship classification. Finally, the third part presents interesting contributions related to belief functions in general published or presented along the years since 2015. These contributions are related with decision-making under uncertainty, belief approximations, probability transformations, new distances between belief functions, non-classical multi-criteria decision-making problems with belief functions, generalization of Bayes theorem, image processing, data association, entropy and cross-entropy measures, fuzzy evidence numbers, negator of belief mass, human activity recognition, information fusion for breast cancer therapy, imbalanced data classification, and hybrid techniques mixing deep learning with belief functions as well