Теоретические модели дендритных пеп

Теоретические модели дендритных пептидных щеток и дендриграфтов с помощью методов теории среднего поля.
Размеры, профиль плотности и распределение точек ветвления и концевых групп в этих щетках и дендриграфтах с различным числом поколений. Теоретические молекулярно массовые зависимостей для щеток и дендриграфтов с числом поколений от 1 до 6.
Модель для мезоскопического моделирования дендритных пептидных щеток и дендриграфтов с помощью метода самосогласованного поля (ССП).
Данные для расчетов для щеток и дендриграфтов различных поколений. Данные о зависимости размеров этих молекул от молекулярной массы, об изменении профиля плотности и распределения точек ветвления и концевых групп от числа поколений.
Обобщенная молекулярная модель дендритных пептидных щеток и дендриграфтов (на основе модели объединенных атомов) для моделирования с помощью методов Броуновской и Ланжевеновской динамики (БД и ЛД, соответственно). Данные о размерах и внутримолекулярной структуре рассматриваемых молекул с разным числом поколений. Зависимость поступательной и вращательной диффузии исследуемых молекул, о их внтримолекулярной подвижности для щеток и дендриграфтов с различным числом поколений.
Детальной полноатомная молекулярная модель новых дендритных пептидных щеток и дендриграфтов для моделирования с помощью методов молекулярной динамики (МД). Данные о размерах и внутримолекулярной структуре изучаемых молекул с разным числом поколений. Данные о зависимости поступательной и вращательной диффузии исследуемых молекул как целого.
Детали внтримолекулярной подвижности дендритных пептидных щеток и дендриграфтов с различным числом поколений (включая локальную динамику СН2 групп, проявляющихся в экспериментах по ЯМР релаксации) и подвижность спейсоров и сегментов большего, включающих в себя вектора от центра дендримера до его концов.
Гидродинамические характеристики и ЯМР спектры синтезированных новых дендритных пептидных щеток и дендриграфтов. Размеры и времена релаксации, характеризующие их внутримолекулярную подвижность. Результаты сравнения полученных экспериментальных данных с предсказаниями теории и многомасштабного моделирования.

Результаты (английский) 1:

Theoretical models of dendritic peptide brushes and dendrigraftov using the methods of the theory of the middle of the field. Dimensions, density profile and distribution branch points and end groups in these brushes and dendrigraftah with different numbers of generations. Theoretical molecular mass dependencies for brushes and dendrigraftov with the number of generations from 1 to 6.A mesoscopic simulation model for dendritic peptide brushes and dendrigraftov by using the self-consistent field (SCF). Data for calculations for brushes and dendrigraftov of different generations. Data on the size of these molecules by molecular weight, on a change of density and distribution branch points and end groups the number of generations.Synthesis of molecular model of dendritic peptide brushes and dendrigraftov (based on the model of the United atoms) for modeling using the methods Brounovskoj and Lanževenovskoj speakers (DB and ld, respectively). Data on the size and structure of the molecules considered intramolecular with different numbers of generations. Dependence of translational and rotational diffusion studied molecules on their vntrimolekulârnoj mobility for brushes and dendrigraftov with different numbers of generations. Detailed polnoatomnaâ molecular model of new dendritic peptide brushes and dendrigraftov for modeling using methods of molecular dynamics (MD). Data on the size and structure of the molecules studied by intramolecular with different numbers of generations. Data on progressive diffusion and rotational studied molecules as a whole.Details of vntrimolekulârnoj motility dendritic peptide brushes and dendrigraftov with different numbers of generations (including the local dynamics of Ch2 groups demonstrated in experiments on NMR relaxation) and mobility of spejsorov and more segments that includes the vector from the center of dendrimera until it ends. Hydrodynamic characteristics and NMR spectra of synthesized new dendritic peptide brushes and dendrigraftov. Dimensions and relaxation times, describing their protein internal mobility. The obtained experimental data compare results with the predictions of theory and modeling mnogomasštabnogo.

Результаты (английский) 2:

Theoretical models of dendritic peptide brushes and dendrigraftov using the methods of the mean field theory.
The size, density profile and the distribution of the branch points and terminal groups in these brushes and dendrigraftah with a different number of generations. Theoretical molecular mass dependencies and dendrigraftov brushes with the number of generations from the 1 to 6.
Model for mesoscopic modeling dendritic peptide brushes and dendrigraftov using the method of self-consistent field (SCF).
The data for the calculations for the various brushes and dendrigraftov generations. Data on the size dependence of these molecules on the molecular weight, to change the profile of the density and distribution of the branch points and end groups of the number of generations.
Generalized molecular model of dendritic peptide brushes and dendrigraftov (based on the model of united atoms) to simulate using Brownian methods and Langevin dynamics ( DB and DL, respectively). Data on the size and structure of the intramolecular considered molecules with different numbers of generations. The dependence of the translational and rotational diffusion of the molecules of their vntrimolekulyarnoy mobility for brushes and dendrigraftov with a different number of generations.
Detailed polnoatomnaya molecular model of new dendritic peptide brushes and dendrigraftov for modeling using the methods of molecular dynamics (MD). Data on the size and the intramolecular structure of the studied molecules with different numbers of generations. Data on the dependence of the translational and rotational diffusion of the molecules as a whole.
Details vntrimolekulyarnoy mobility of dendritic peptide brushes and dendrigraftov with a different number of generations (including the local dynamics of the CH2 groups are manifested in experiments on NMR relaxation) and speysorov mobility and more segments, including a vector from dendrimer center to its ends.
Hydrodynamic characteristics and NMR spectra of the synthesized new dendritic peptide brushes and dendrigraftov. The size and the relaxation times characterizing their intramolecular mobility. The results of the comparison of the experimental data with the predictions of the theory and multiscale modeling.

Результаты (английский) 3:

the theoretical model дендритных peptide дендриграфтов brushes and methods of theory of average field.the size, profile, density and distribution of branch points and the end groups of the щетках and дендриграфтах with different number of generations. the theoretical molecular mass dependencies for toothbrushes and дендриграфтов with the number of generations from 1 to 6.a model for the simulation мезоскопического дендритных peptide brushes and дендриграфтов by the method of самосогласованного fields (mtp).the data for the calculation for the brushes and дендриграфтов across generations. data on the dependence of the size of these molecules from the molecular mass to change the profile of density and distribution of branch points and the end groups of the number of generations.synthesis of a molecular model дендритных peptide brushes and дендриграфтов (based on the model of united atoms) for modeling methods броуновской and ланжевеновской dynamics (bd and ld, respectively). data on the size and structure of the внутримолекулярной molecules with different number of generations. the dependence of forward and rotational diffusion of molecules on their внтримолекулярной mobility for toothbrushes and дендриграфтов with different number of generations.a detailed molecular model полноатомная new дендритных peptide brushes and дендриграфтов for modelling by means of molecular dynamics (md). data on the size and structure of внутримолекулярной molecules with different number of generations. data on the dependence of forward and rotational diffusion of the molecules as a whole.the details of внтримолекулярной mobility дендритных peptide brushes and дендриграфтов with different number of generations (including the local dynamics of сн2 groups manifested in experiments on mrl relaxation) and motility спейсоров and segments that include the vector from the center of дендримера before its end.hydrodynamic characteristics and mrl spectra of synthesized new дендритных peptide brushes and дендриграфтов. the amount and times of relaxation, describing their внутримолекулярную motility. the results of the comparison of the experimental data with the predictions of theory and многомасштабного modelling.