Titlebook: Computer Simulations of Protein Structures and Interactions; S. Fraga,J. M. R. Parker,J. M. Pocock Book 1995 Springer-Verlag Berlin Heidel

外面

Molecular Mechanics: The Potential Energy Functionessary formulations are available. There is, therefore, no recourse but to introduce approximations, some of which, in fact, may seem very drastic. Judgment, however, should be passed only after an evaluation of the correctness of the results that the corresponding treatments may yield.

沉著

Molecular Mechanics: Computer Simulationsint new decisions must be made, based on additional considerations regarding the purpose of the calculations, the computing facilities available and, consequently, the computing time required for the simulations. These considerations are not independent of each other and the final approach adopted m

Outwit

Databasesd related processed information, and the physico-chemical data. This decision is based, fundamentally, in the different usage of both types of data: the structural data constitute both a benchmark and a source of information for the simplification/improvement/interpretation of simulation treatments

卡死偷電

Modeling of Tertiary Structuresthe basis for the discussion of specific details and practical applications to be presented in this and following chapters. But before proceeding with that discussion some comments may help the reader in understanding the reasons for the approach adopted.

fabricate

浪費(fèi)物質(zhì)

Structure-Aided Molecular Designs, will come to fruition with concrete results of practical value. Diverse, and very significant, possibilities exist, and more will be found. At this point, it will suffice to mention the development of conductors, molecular switches, synthetic vaccines, pepzymes, and drugs. All these projects may

剝皮

Prologue

Government Policies and Land Use Planningmolecules. Proteins transmit chemical and physical signals between molecules in the cell, act as receptors on the cell surface, control the activity of other proteins as well as of ., transport oxygen, lipids and metals in the blood, act as storage proteins, and control the flow of ions and other mo

antecedence

半導(dǎo)體

The Conservative Counter-revolution,should now be able to obtain the wave function and the energy of a given molecule, the association of two molecules, or even a collection of molecules (identical or not). We must realize, of course, that this statement, though correct in principle, does not reflect the reality, considering the many