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The Molecular Interaction Process
Journal of Pharmaceutical Sciences, 2020Noncovalent molecular interactions, which are central to life, are thermodynamic processes that follow common interaction pathways. This commentary provides a foundation for both considering noncovalent interactions and the interplay between the protein properties and the solvent properties in determining the energetics.
Laue, Thomas M., Shire, Steven J.
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Molecular interaction databases
PROTEOMICS, 2012Molecular interaction databases are playing an ever more important role in our understanding of the biology of the cell. An increasing number of resources exist to provide these data and many of these have adopted the controlled vocabularies and agreed‐upon standardised data formats produced by the Molecular Interaction workgroup of the Human Proteome ...
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Analyzing Molecular Interactions
Current Protocols in Bioinformatics, 2003AbstractThis unit offers an overview of issues that must be considered when analyzing molecular interactions. The importance of bound solvent, binding affinity, and electrostatic interactions is discussed.
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Molecular Soybean-Pathogen Interactions
Annual Review of Phytopathology, 2016Soybean hosts a wide variety of pathogens that cause significant yield losses. The importance of soybean as a major oilseed crop has led to research focused on its interactions with pathogens, such as Soybean mosaic virus, Pseudomonas syringae, Phytophthora sojae, Phakopsora pachyrhizi, and Heterodera glycines.
Whitham, Steven A. +5 more
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Molecular Interactions of Thrombin
Seminars in Thrombosis and Hemostasis, 1996Thrombin possesses at least three independent binding sites for substrate, inhibitor, and co-factor molecules, four counting the Na+ ion binding site. The S1 subsite of the active site is specific for an arginine side group, while S2 is a more extended apolar site.
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Interactive molecular dynamics
Physica A: Statistical Mechanics and its Applications, 1997Abstract We address the use of visualization and interactivity in molecular dynamics simulation. In an interactive environment the simulator is not only provided with the means to view the system in alternative ways in real-time, but is also able to ‘steer’ the computation in different directions by changing the governing parameters of the system ...
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Molecular Modeling of Chemoreceptor:Ligand Interactions
2018Docking algorithms have been widely used to elucidate ligand:receptor interactions that are important in biological function. Here, we introduce an in-house developed docking-refinement protocol that combines the following innovative features. (1) The use of multiple short molecular dynamics (MD) docking simulations, with residues within the binding ...
Asuka A, Orr +2 more
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2016
Every nucleated diploid cell in the body, with the exception of B and T cells of the immune system, has the same genome as its originating single fertilized egg. During development, this single cell differentiates into a complex multicellular organism composed of various cells and tissues each carrying out specialized functions.
Aysha Divan, Janice A. Royds
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Every nucleated diploid cell in the body, with the exception of B and T cells of the immune system, has the same genome as its originating single fertilized egg. During development, this single cell differentiates into a complex multicellular organism composed of various cells and tissues each carrying out specialized functions.
Aysha Divan, Janice A. Royds
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2005
A Personal Foreword. Preface. List of Contributors. I Introduction. 1 The Basic Principles of GRID (Peter Goodford). 1.1 Introduction. 1.2 Philosophy and Objectives. 1.3 Priorities. 1.4 The GRID Method. 1.5 The GRID Force Field. 1.6 Nomenclature. 1.7 Calibrating the GRID Force Field. 1.8 The Output from GRID. 1.9 Conclusions.
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A Personal Foreword. Preface. List of Contributors. I Introduction. 1 The Basic Principles of GRID (Peter Goodford). 1.1 Introduction. 1.2 Philosophy and Objectives. 1.3 Priorities. 1.4 The GRID Method. 1.5 The GRID Force Field. 1.6 Nomenclature. 1.7 Calibrating the GRID Force Field. 1.8 The Output from GRID. 1.9 Conclusions.
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Molecular imaging in oncology: Current impact and future directions
Ca-A Cancer Journal for Clinicians, 2022Steven P Rowe, Martin G Pomper
exaly