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Books on the topic 'Molecular modeling study'

Author: Grafiati

Published: 6 June 2025

Last updated: 25 July 2025

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1

Wei, Wei, and C. Neal Stewart Jr., eds. Gene flow: monitoring, modeling and mitigation. CABI, 2021. http://dx.doi.org/10.1079/9781789247480.0000.

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Abstract Over two decades later, gene flow research as it pertains to genetically engineered crops is still going strong, even in the face of the absence of ecological disasters in the nearly 30 years of widescale biotech crop commercialization. Nonetheless, ecological timeframes are within the study scope of the sort of research performed to date covered in this book. These studies have greatly informed regulations that govern biotech crops. The chapters in this book capture various aspects of scientific disciplines that span from organismal studies, to population and community ecology, to mo

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2

Flint, Daniel Geoffrey. A molecular modelling study of covalently cross-linked peptides. University of Birmingham, 2003.

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3

Andriyanova, Mariya, Aslanli Aslanli, Nataliya Basova, et al. ORGANOPHOSPHORUS NEUROTOXINS. Publishing Center RIOR, 2020. http://dx.doi.org/10.29039/02026-5.

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The collective monograph is devoted to discussing the history of creation, studying the properties, neutralizing and using organophosphorus neurotoxins, which include chemical warfare agents, agricultural crop protection chemical agents (herbicides and insecticides) and medicines. The monograph summarizes the results of current scientific research and new prospects for the development of this field of knowledge in the 21st century, including the use of modern physicochemical methods for experimental study and theoretical analysis of biocatalysis and its mechanisms based on molecular modeling w

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4

Klein, David R. Organic Chemistry, 3e Loose-Leaf Print Companion WileyPLUS with WileyPLUS Blackboard Card, Study Guide, and Molecular Modeling Kit Set. Wiley & Sons, Incorporated, John, 2018.

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5

Klein, David R. Organic Chemistry, 3e Loose-Leaf Print Companion WileyPLUS with WileyPLUS LMS Card, Study Guide EPUB Card, and Molecular Modeling Kit Set. Wiley & Sons, Incorporated, John, 2018.

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6

Klein, David R. Organic Chemistry, 3e Loose-Leaf Print Companion WileyPLUS with WileyPLUS LMS Card, Study Guide EPUB Card, and Molecular Modeling Kit Set. Wiley & Sons, Incorporated, John, 2018.

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7

Appasani, Krishnarao, and Raghu Kiran Appasani, eds. Single-Molecule Science. Cambridge University Press, 2022. http://dx.doi.org/10.1017/9781108525909.

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Single Molecule Science (SMS) has emerged from developing, using and combining technologies such as super-resolution microscopy, atomic force microscopy, and optical and magnetic tweezers, alongside sophisticated computational and modelling techniques. This comprehensive, edited volume brings together authoritative overviews of these methods from a biological perspective, and highlights how they can be used to observe and track individual molecules and monitor molecular interactions in living cells. Pioneers in this fast-moving field cover topics such as single molecule optical maps, nanomachi

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8

Allen, Michael P., and Dominic J. Tildesley. Nonequilibrium molecular dynamics. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198803195.003.0011.

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This chapter explains some of the fundamental issues associated with applying perturbations to a molecular dynamics simulation, along with practical details of methods for studying systems out of equilibrium. The main emphasis is on fluid flow and viscosity measurements. Spatially homogeneous perturbations are described to study shear and extensional flow. Non-equilibrium methods are applied to the study of heat flow and the calculation of the thermal conductivity. Issues of thermostatting, and the modelling of surface-fluid interactions for inhomogeneous systems, are discussed. The measuremen

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9

Coveney, Peter V., and Shunzhou Wan. Molecular Dynamics: Probability and Uncertainty. Oxford University PressOxford, 2025. https://doi.org/10.1093/9780198893479.001.0001.

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Abstract This book explores the intersection of molecular dynamics (MD) simulation with advanced probabilistic methodologies to address the inherent uncertainties in the approach. Beginning with a clear and comprehensible introduction to classical mechanics, the book transitions into the probabilistic formulation of MD, highlighting the importance of ergodic theory, kinetic theory, and unstable periodic orbits, concepts which are largely unknown to current practitioners within the domain. It discussed ensemble-based simulations, free energy calculations and the study of polymer nanocomposites

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10

Klein, David R. Set: CEGEPS Organic Chemistry 2e with Study Guide/Student Solutions Manual and Molecular Modelling Kit. Wiley & Sons, Incorporated, John, 2016.

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11

de Regt, Henk W. Models and Mechanisms. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780190652913.003.0006.

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This chapter analyzes the role of mechanical modeling in nineteenth-century physics, showing how precisely mechanical models were used to enhance scientific understanding. It discusses the work and ideas of William Thomson (Lord Kelvin), James Clerk Maxwell, and Ludwig Boltzmann, who advanced explicit views on the function and status of mechanical models, in particular, on their role in providing understanding. A case study of the construction of molecular models to explain the so-called specific heat anomaly highlights the role of conceptual tools in achieving understanding and shows that int

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12

Solomons, T. W. Graham, Craig B. Fryhle, and Scott A. Snyder. Organic Chemistry, 12e with Study Guide / Student Solutions Manual, WileyPLUS Card, 2 Molecular Modelling Kits 7e Set. Wiley & Sons, Incorporated, John, 2016.

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13

Coolen, A. C. C., A. Annibale, and E. S. Roberts. Applications of random graphs. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198709893.003.0011.

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This chapter reviews graph generation techniques in the context of applications. The first case study is power grids, where proposed strategies to prevent blackouts have been tested on tailored random graphs. The second case study is in social networks. Applications of random graphs to social networks are extremely wide ranging – the particular aspect looked at here is modelling the spread of disease on a social network – and how a particular construction based on projecting from a bipartite graph successfully captures some of the clustering observed in real social networks. The third case stu

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14

Lattman, Eaton E., Thomas D. Grant, and Edward H. Snell. Making the Best Use of Beamtime. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780199670871.003.0006.

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Extracting information from scattering data is very sensitive to the quality of the data. In this chapter data quality characterization is described, including initial data processing procedures to alert the user to potential data quality issues. Accurate buffer subtraction is crucial for correct modeling and analysis of SAS data, and mechanisms for identifying buffer subtraction errors are discussed. Examining SAS parameters such as a function of concentration or exposure is very useful for identifying concentration dependent artifacts or radiation damage that, if unnoticed, can be very detri

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15

Schmid-Hempel, Paul. Evolutionary Parasitology. 2nd ed. Oxford University Press, 2021. http://dx.doi.org/10.1093/oso/9780198832140.001.0001.

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Parasites are ubiquitous and shape almost every aspect of their hosts, including physiology, behaviour, life histories, the structure of the microbiota, and entire communities. Hence, parasitism is one of the most potent forces in nature and, without parasites, the world would look very different. The book gives an overview over the parasite groups and the diversity of defences that hosts have evolved, such as immune systems. Principles of evolutionary biology and ecology analyse major elements of host–parasite interactions, including virulence, infection processes, tolerance, resistance, spec

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