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      Molecular dynamics simulation of humic substances

      Chemical and Biological Technologies in Agriculture

      Springer Science and Business Media LLC

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          Pharmaceuticals, Hormones, and Other Organic Wastewater Contaminants in U.S. Streams, 1999−2000:  A National Reconnaissance

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            The macromolecular organic composition of plant and microbial residues as inputs to soil organic matter

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              Empirical force fields for biological macromolecules: overview and issues.

              Empirical force field-based studies of biological macromolecules are becoming a common tool for investigating their structure-activity relationships at an atomic level of detail. Such studies facilitate interpretation of experimental data and allow for information not readily accessible to experimental methods to be obtained. A large part of the success of empirical force field-based methods is the quality of the force fields combined with the algorithmic advances that allow for more accurate reproduction of experimental observables. Presented is an overview of the issues associated with the development and application of empirical force fields to biomolecular systems. This is followed by a summary of the force fields commonly applied to the different classes of biomolecules; proteins, nucleic acids, lipids, and carbohydrates. In addition, issues associated with computational studies on "heterogeneous" biomolecular systems and the transferability of force fields to a wide range of organic molecules of pharmacological interest are discussed. Copyright 2004 Wiley Periodicals, Inc.
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                Author and article information

                Journal
                Chemical and Biological Technologies in Agriculture
                Chem. Biol. Technol. Agric.
                Springer Science and Business Media LLC
                2196-5641
                December 2014
                September 2 2014
                December 2014
                : 1
                : 1
                Article
                10.1186/s40538-014-0010-4
                © 2014

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