Titlebook: Computer Simulation of Biomolecular Systems; Theoretical and Expe Wilfred F. Gunsteren,Paul K. Weiner,Anthony J. Wil Book 1997 Springer Sci

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Relation of Motors to RefrigeratorsThe aim of this article is to give an overview of recent developments in Gaussian ‘shape methods’, with an emphasis on their advantages in biological and macromolecular applications.

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Gaussian shape methodsThe aim of this article is to give an overview of recent developments in Gaussian ‘shape methods’, with an emphasis on their advantages in biological and macromolecular applications.

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https://doi.org/10.1007/978-3-031-65786-3r groups of atoms). Independently of the scaling with the system size, the evaluation of an empirical interaction function remains usually much cheaper than any other method (size of the prefactor to the scaling) and currently allows for the simulation of systems typically up to 10.–10. atoms.

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https://doi.org/10.1007/978-94-010-2254-5 mutagenesis techniques to help identify the key functional groups of the enzyme. Additionally, X-ray crystallography has advanced to the point where it is now feasible to determine the three-dimensional structure of enzymes, providing us with the ability to visualize the active site and confirm Emi

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The Infinite Space in the Fourteenth Centuryttice, inventing a potential and then enjoying the luxury of always finding the global minimum of their energies as well as most of the other possible states for a chain of up to a hundred simplified residues [27,47]. The third school shares the impatience of minimalists, yet resists the temptation

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blems involv­ ing the structures and reactions of small molecules. Corresponding studies of mesoscopic systems have been undertaken much more recently. Molecular dynamics simulations, which are the primary focus of this volume, represent the most important theoretical approach to macromolecules of biological 978-90-481-8528-3978-94-017-1120-3