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Louis Sullivan (1856 - 1924) revolutionized architecture by designing the first skyscraper and he became famous by proclaiming that “form follows function”. When x-ray crystallographers visualized the structures of proteins for the first time, the structural biology field embraced the view that “function follows form” as the 3D-architecture of proteins could unveil various aspects of their function. Despite the original “1 gene - 1 protein structure - 1 function” relationship, nowadays a far more complicated picture emerges where the flexibility and dynamics of a protein can play a central role in a multitude of functions. The ultimate form(s) that a protein adopt when interacting with (a) partner molecule(s) are the most biologically relevant and in this context Sullivan’s quote is still appropriate: the conformation that the protein adopts follows from the function of that protein. Despite the fact that many well-characterized proteins have a well-folded structure, there is a growing interest in the conformational flexibility within proteins. This flexibility is also a balanced phenomenon: excess of flexibility can be detrimental for protein behaviour, as well as the lack thereof. Notwithstanding its importance, studying intrinsically disordered protein regions or conformational rearrangements can be a very challenging. Therefore, flexibility can be perceived as a friend or a foe, depending on the context. This e-book showcases the impact of the study of protein flexibility on the structural biology field and presents protein flexibility in the context of disease as well as its benign aspects. As detailed knowledge of the structural aspects of polypeptides remains essential to comprehend protein function, one of the future challenges for structural biology also lies with large macromolecular protein complexes. Also there the dynamics and flexibility are essential for proper functioning and molecular movement, which is an important aspect of living matter. This challenge stimulated the development of advanced techniques to study protein flexibility and the use of those techniques to address fundamental biological and biomedical problems. Those innovations should help us to unravel the intimate link between protein function and flexibility and explore new horizons.

conformational selection and induced fit --- protein structure --- conformational ensemble --- Protein function --- protein dynamics --- Protein Conformation --- protein flexibility --- Protein Disorder --- intrinsically disordered proteins --- Structural transition

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Louis Sullivan (1856 - 1924) revolutionized architecture by designing the first skyscraper and he became famous by proclaiming that “form follows function”. When x-ray crystallographers visualized the structures of proteins for the first time, the structural biology field embraced the view that “function follows form” as the 3D-architecture of proteins could unveil various aspects of their function. Despite the original “1 gene - 1 protein structure - 1 function” relationship, nowadays a far more complicated picture emerges where the flexibility and dynamics of a protein can play a central role in a multitude of functions. The ultimate form(s) that a protein adopt when interacting with (a) partner molecule(s) are the most biologically relevant and in this context Sullivan’s quote is still appropriate: the conformation that the protein adopts follows from the function of that protein. Despite the fact that many well-characterized proteins have a well-folded structure, there is a growing interest in the conformational flexibility within proteins. This flexibility is also a balanced phenomenon: excess of flexibility can be detrimental for protein behaviour, as well as the lack thereof. Notwithstanding its importance, studying intrinsically disordered protein regions or conformational rearrangements can be a very challenging. Therefore, flexibility can be perceived as a friend or a foe, depending on the context. This e-book showcases the impact of the study of protein flexibility on the structural biology field and presents protein flexibility in the context of disease as well as its benign aspects. As detailed knowledge of the structural aspects of polypeptides remains essential to comprehend protein function, one of the future challenges for structural biology also lies with large macromolecular protein complexes. Also there the dynamics and flexibility are essential for proper functioning and molecular movement, which is an important aspect of living matter. This challenge stimulated the development of advanced techniques to study protein flexibility and the use of those techniques to address fundamental biological and biomedical problems. Those innovations should help us to unravel the intimate link between protein function and flexibility and explore new horizons.

conformational selection and induced fit --- protein structure --- conformational ensemble --- Protein function --- protein dynamics --- Protein Conformation --- protein flexibility --- Protein Disorder --- intrinsically disordered proteins --- Structural transition --- conformational selection and induced fit --- protein structure --- conformational ensemble --- Protein function --- protein dynamics --- Protein Conformation --- protein flexibility --- Protein Disorder --- intrinsically disordered proteins --- Structural transition

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Fuzzy Logic is a good model for the human ability to compute words. It is based on the theory of fuzzy set. A fuzzy set is different from a classical set because it breaks the Law of the Excluded Middle. In fact, an item may belong to a fuzzy set and its complement at the same time and with the same or different degree of membership. The degree of membership of an item in a fuzzy set can be any real number included between 0 and 1. This property enables us to deal with all those statements of which truths are a matter of degree. Fuzzy logic plays a relevant role in the field of Artificial Intelligence because it enables decision-making in complex situations, where there are many intertwined variables involved. Traditionally, fuzzy logic is implemented through software on a computer or, even better, through analog electronic circuits. Recently, the idea of using molecules and chemical reactions to process fuzzy logic has been promoted. In fact, the molecular word is fuzzy in its essence. The overlapping of quantum states, on the one hand, and the conformational heterogeneity of large molecules, on the other, enable context-specific functions to emerge in response to changing environmental conditions. Moreover, analog input–output relationships, involving not only electrical but also other physical and chemical variables can be exploited to build fuzzy logic systems. The development of “fuzzy chemical systems” is tracing a new path in the field of artificial intelligence. This new path shows that artificially intelligent systems can be implemented not only through software and electronic circuits but also through solutions of properly chosen chemical compounds. The design of chemical artificial intelligent systems and chemical robots promises to have a significant impact on science, medicine, economy, security, and wellbeing. Therefore, it is my great pleasure to announce a Special Issue of Molecules entitled “The Fuzziness in Molecular, Supramolecular, and Systems Chemistry.” All researchers who experience the Fuzziness of the molecular world or use Fuzzy logic to understand Chemical Complex Systems will be interested in this book.

Research & information: general --- Biology, life sciences --- fuzzy logic --- complexity --- chemical artificial intelligence --- human nervous system --- fuzzy proteins --- conformations --- photochromic compounds --- qubit --- protein dynamics --- conformational heterogeneity --- promiscuity --- fuzzy complexes --- higher-order structures --- protein evolution --- fuzzy set theory --- artificial intelligence --- GCN4 mimetic --- peptides-DNA --- E:Z photoisomerization --- conformational fuzziness --- photoelectrochemistry --- wide bandgap semiconductor --- artificial neuron --- in materio computing --- neuromorphic computing --- intrinsically disordered protein --- intrinsically disordered protein region --- liquid-liquid phase transition --- protein-protein interaction --- protein-nucleic acid interaction --- proteinaceous membrane-less organelle --- fuzzy complex. --- d-TST --- activation energy --- Transitivity plot --- solution kinetic --- Maxwell-Boltzmann path --- Euler's formula for the exponential --- activation --- transitivity --- transport phenomena --- moonlighting proteins --- intrinsically disordered proteins --- metamorphic proteins --- morpheeins --- fuzzy logic --- complexity --- chemical artificial intelligence --- human nervous system --- fuzzy proteins --- conformations --- photochromic compounds --- qubit --- protein dynamics --- conformational heterogeneity --- promiscuity --- fuzzy complexes --- higher-order structures --- protein evolution --- fuzzy set theory --- artificial intelligence --- GCN4 mimetic --- peptides-DNA --- E:Z photoisomerization --- conformational fuzziness --- photoelectrochemistry --- wide bandgap semiconductor --- artificial neuron --- in materio computing --- neuromorphic computing --- intrinsically disordered protein --- intrinsically disordered protein region --- liquid-liquid phase transition --- protein-protein interaction --- protein-nucleic acid interaction --- proteinaceous membrane-less organelle --- fuzzy complex. --- d-TST --- activation energy --- Transitivity plot --- solution kinetic --- Maxwell-Boltzmann path --- Euler's formula for the exponential --- activation --- transitivity --- transport phenomena --- moonlighting proteins --- intrinsically disordered proteins --- metamorphic proteins --- morpheeins

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Fuzzy Logic is a good model for the human ability to compute words. It is based on the theory of fuzzy set. A fuzzy set is different from a classical set because it breaks the Law of the Excluded Middle. In fact, an item may belong to a fuzzy set and its complement at the same time and with the same or different degree of membership. The degree of membership of an item in a fuzzy set can be any real number included between 0 and 1. This property enables us to deal with all those statements of which truths are a matter of degree. Fuzzy logic plays a relevant role in the field of Artificial Intelligence because it enables decision-making in complex situations, where there are many intertwined variables involved. Traditionally, fuzzy logic is implemented through software on a computer or, even better, through analog electronic circuits. Recently, the idea of using molecules and chemical reactions to process fuzzy logic has been promoted. In fact, the molecular word is fuzzy in its essence. The overlapping of quantum states, on the one hand, and the conformational heterogeneity of large molecules, on the other, enable context-specific functions to emerge in response to changing environmental conditions. Moreover, analog input–output relationships, involving not only electrical but also other physical and chemical variables can be exploited to build fuzzy logic systems. The development of “fuzzy chemical systems” is tracing a new path in the field of artificial intelligence. This new path shows that artificially intelligent systems can be implemented not only through software and electronic circuits but also through solutions of properly chosen chemical compounds. The design of chemical artificial intelligent systems and chemical robots promises to have a significant impact on science, medicine, economy, security, and wellbeing. Therefore, it is my great pleasure to announce a Special Issue of Molecules entitled “The Fuzziness in Molecular, Supramolecular, and Systems Chemistry.” All researchers who experience the Fuzziness of the molecular world or use Fuzzy logic to understand Chemical Complex Systems will be interested in this book.

Research & information: general --- Biology, life sciences --- fuzzy logic --- complexity --- chemical artificial intelligence --- human nervous system --- fuzzy proteins --- conformations --- photochromic compounds --- qubit --- protein dynamics --- conformational heterogeneity --- promiscuity --- fuzzy complexes --- higher-order structures --- protein evolution --- fuzzy set theory --- artificial intelligence --- GCN4 mimetic --- peptides–DNA --- E:Z photoisomerization --- conformational fuzziness --- photoelectrochemistry --- wide bandgap semiconductor --- artificial neuron --- in materio computing --- neuromorphic computing --- intrinsically disordered protein --- intrinsically disordered protein region --- liquid–liquid phase transition --- protein–protein interaction --- protein–nucleic acid interaction --- proteinaceous membrane-less organelle --- fuzzy complex. --- d-TST --- activation energy --- Transitivity plot --- solution kinetic --- Maxwell–Boltzmann path --- Euler’s formula for the exponential --- activation --- transitivity --- transport phenomena --- moonlighting proteins --- intrinsically disordered proteins --- metamorphic proteins --- morpheeins --- n/a --- peptides-DNA --- liquid-liquid phase transition --- protein-protein interaction --- protein-nucleic acid interaction --- Maxwell-Boltzmann path --- Euler's formula for the exponential

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The book reprints a set of important scientific papers applying physics and mathematics to address the problem of selective ionic conduction in narrow water-filled channels and pores. It is a long-standing problem, and an extremely important one. Life in all its forms depends on ion channels and, furthermore, the technological applications of artificial ion channels are already widespread and growing rapidly. They include desalination, DNA sequencing, energy harvesting, molecular sensors, fuel cells, batteries, personalised medicine, and drug design. Further applications are to be anticipated.The book will be helpful to researchers and technologists already working in the area, or planning to enter it. It gives detailed descriptions of a diversity of modern approaches, and shows how they can be particularly effective and mutually reinforcing when used together. It not only provides a snapshot of current cutting-edge scientific activity in the area, but also offers indications of how the subject is likely to evolve in the future.

reversal potential --- effects of diffusion coefficients --- permanent charge --- bioelectricity --- electrochemistry --- thermodynamics --- electrokinetics --- molecular mean-field theory --- Boltzmann and Fermi distributions --- Poisson–Boltzmann --- Poisson–Fermi --- Poisson–Bikerman --- Nernst–Planck --- steric and correlation effects --- ion channels --- ion activity --- double-layer capacitance --- nanofluidics --- steric effect --- Poisson-Boltzmann model --- Bikerman model --- entropy --- specific ion size --- electric double layer --- orientational ordering of water dipoles --- Helmholtz free energy --- modified Langevin Poisson-Boltzmann model --- nanopores --- reduced models --- Monte Carlo --- classical density functional theory --- Poisson-Nernst-Planck --- ion transport --- nanopore --- graphene --- crown ether --- ion channel --- selectivity --- permeability --- patch-clamp --- computer simulations --- ionic Coulomb blockade --- 2D materials --- nanotubes --- angstrom slits --- protein dynamics --- molecular dynamics --- non-Hermitian Hamiltonians --- algebraic topology --- semiclassical methods --- statistical mechanics --- polarization --- maxwell equations --- gating current --- dielectric constant --- statistical theory --- linear response --- ionic transport --- NaChBac --- computational electrophysiology --- electrodiffusion model --- stochastic simulations --- current–voltage dependence --- committor probabilities --- n/a --- Poisson-Boltzmann --- Poisson-Fermi --- Poisson-Bikerman --- Nernst-Planck --- current-voltage dependence