Refine Results
Sort By
From
To
Page 1
Page 1
Biophysical characterization of functional peptides
Presents reproducible and step-by-step procedures for the peptide synthesis, their characterization and applications. The volume includes an introductory section on in silico modelling of new peptide molecules, Molecular Dynamics Simulations, Docking, Electrostatic fingerprinting of peptides, and other modelling tools for peptide designing and optimization. Further, it covers protocols for the solid phase peptide synthesis, chromatographic and mass spectrometric characterization of peptides. Importantly, it covers methods for biophysical characterizations of peptides for their potential applications as drug delivery vehicles, peptide nano-assembly, bionanocatalysis, protein aggregation diseases, and peptide-based anti-bacterial.
Machine learning and its application to reacting flows: ml and combustion
These two fields, ML and turbulent combustion, have large body of work and knowledge on their own, and this book brings them together and explain the complexities and challenges involved in applying ML techniques to simulate and study reacting flows. This is important as to the world’s total primary energy supply (TPES), since more than 90% of this supply is through combustion technologies and the non-negligible effects of combustion on environment. Although alternative technologies based on renewable energies are coming up, their shares for the TPES is are less than 5% currently and one needs a complete paradigm shift to replace combustion sources. The book covers the current state of the art in these two topics and outlines the challenges involved, merits and drawbacks of using ML for turbulent combustion simulations including avenues which can be explored to overcome the challenges.
Layered Double Hydroxides
Both experimental and theoretical studies of nearly every aspect of the LDH structure are discussed, including the range of metal cations and interlayer anions, M 3+ /M 2+ ratios, LDH polytypes, arrangement of the "interlayer" anions and water molecules, molecular modeling and molecular dynamics simulations, and the long- and short-range order in both the layers and interlayer galleries. Of especial value is the treatment of the more detailed aspects of the LDH structure that are still unresolved.
IUTAM Symposium on Multiscale Problems in Multibody System Contacts ; Proceedings of the IUTAM Symposium held in Stuttgart, Germany, February 20–23, 2006
The investigation of multiscale problems in multibody system contacts is an interesting and timely topic which has been the subject of intensive research. This proceedings volume summarizes contributions of many authors active in the field and gives insight in very different areas of this fascinating research.
Atomistic approaches in modern biology : From quantum chemistry to molecular simulations
This volume of Topics in Current Chemistry presents an overview of atomistic theoreticalmethodsapplied tomolecular biologicalsystems. Itthus repesents abottom-upview of chemistryonbiologyfroma theoreticalperspective. The chapters arearrangedsuchthat important issuesareconsidered startingfrom a quantum mechanical perspective and proceeding to a molecular mechanics and molecular dynamics descriptiono fthemotionoftheelementaryparticles involved.which are responsible for the properties and function of biomolecules. Depending on the length and time scales relevant for a given phenomenon to be investigated, tailored theoretical methods are required to account for these. If one is interested in large scale motions of molecules, a molecul- mechnanics-based description willbeappropriate.
Analysis, Modeling and Simulation of Multiscale Problems
This book reports recent mathematical developments in the Programme "Analysis, Modeling and Simulation of Multiscale Problems", which started as a German research initiative in 2006. Multiscale problems occur in many fields of science, such as microstructures in materials, sharp-interface models, many-particle systems and motions on different spatial and temporal scales in quantum mechanics or in molecular dynamics. The book presents current mathematical foundations of modeling, and proposes efficient numerical treatment.
Analysis and Control of Ultrafast Photoinduced Reactions
The present monograph summarizes, in a comprehensive way, several years of joint experimental and theoretical frontier research on ultrafast laser-induced molecular dynamics and its control. Emphasis is set on the characterization of the nuclear dynamics within molecular systems in various environments (gas phase, surfaces, solids, solution, strong fields) triggered by optical excitations spanning from the infrared to the ultraviolet. Building on the converged analysis between experiment and theory, control of chemical reactions is established by means of optimally shaped laser pulses. This paves the road toward new applications and future challenges in this rapidly developing research field.
