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wyszukanych pozycji: 2
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Simulating Hamiltonian Dynamics
ISBN: 9780521772907 / Angielski / Twarda / 2005 / 396 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. The simulation of matter by direct computation of individual atomic motions has become an important element in the design of new drugs and in the construction of new materials. This book demonstrates how to implement the numerical techniques needed for such simulation, thereby aiding the design of new, faster, and more robust solution schemes. Clear explanations and many examples and exercises will ensure the value of this text for students, professionals, and researchers.
The simulation of matter by direct computation of individual atomic motions has become an important element in the design of new drugs and in the cons...
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cena:
309,47 zł |
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New Algorithms for Macromolecular Simulation
ISBN: 9783540255420 / Angielski / Miękka / 2005 / 367 str. Termin realizacji zamówienia: ok. 20 dni roboczych. Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the... Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading r... |
cena:
586,33 zł |
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