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Molecular functionality

One of the most important molecular functions of p53 is therefore to act as an activator of p21 transcription. The wild-type protein binds to specific DNA sequences, whereas tumor-derived p53 mutants are defective in sequence-specific DNA binding and consequently cannot activate the transcription of p5 3-con trolled genes. As we will see more than half of the over one thousand different mutations found in p53 involve amino acids which are directly or indirectly associated with DNA binding. [Pg.166]

Nondestructive identification of the molecular functional groups present at surfaces... [Pg.34]

In contemporary societies replete with various industries and automobiles, NO (NO, N02, and N03) has been recognized to be one of the important factors responsible for air pollution. Only two decades ago, NO was found to be an essential molecule that regulates cellular/molecular functions in mammals. NO is also enzymatically synthesized in nonmammals, invertebrates, and yeasts. Therefore, the origin of NO may date back to the birth of life arising from single cell organisms living around 3-billion years ago. [Pg.855]

As illustrated in Fig. 2, these complexes are likely dimeric. Curiously, only when in TORC1 is TOR/mTOR bound and inhibited by the rapamycin-FKBP12 complex. Rapamycin has been an incredibly important tool to dissect the molecular function of TORC1/mTORCl and as outlined below, rapamycin and related derivatives have ever-increasing clinical potential. No small molecule inhibitor of TORC2/mTORC2 has been identified and consequently understood the functions of this complex is relatively less well developed. [Pg.1213]

A specific role for vitamin E in a required metabolic function has not been found. In addition to its direct antioxidant effects, a-tocopherol has been reported to have specific molecular functions. [Pg.1295]

NONADIABATIC CHEMICAL DYNAMICS COMPREHENSION AND CONTROL OF DYNAMICS, AND MANIFESTATION OF MOLECULAR FUNCTIONS... [Pg.95]

Nonadiabatic transitions definitely play crucial roles for molecules to manifest various functions. The theory of nonadiabatic transition is very helpful not only to comprehend the mechanisms, but also to design new molecular functions and enhance their efficiencies. The photochromism that is expected to be applicable to molecular switches and memories is a good example [130]. Photoisomerization of retinal is well known to be a basic mechanism of vision. In these processes, the NT type of nonadiabatic transitions play essential roles. There must be many other similar examples. Utilization of the complete reflection phenomenon can also be another candidate, as discussed in Section V.C. In this section, the following two examples are cosidered (1) photochromism due to photoisomerization between cyclohexadiene (CHD) and hexatriene (HT) as an example of photoswitching molecular functions, and (2) hydrogen transmission through a five-membered carbon ring. [Pg.182]

The author would like to thank all the group members in the past and present who carried out all the researches discussed in this chapter Drs. C. Zhu, G. V. Mil nikov, Y. Teranishi, K. Nagaya, A. Kondorskiy, H. Fujisaki, S. Zou, H. Tamura, and P. Oloyede. He is indebted to Professors S. Nanbu and T. Ishida for their contributions, especially on molecular functions and electronic structure calculations. He also thanks Professor Y. Zhao for his work on the nonadiabatic transition state theory and electron transfer. The work was supported by a Grant-in-Aid for Specially Promoted Research on Studies of Nonadiabatic Chemical Dynamics based on the Zhu-Nakamura Theory from MEXT of Japan. [Pg.207]

Nonadiabatic Chemical Dynamics Comprehension and Control OF Dynamics, and Manifestation of Molecular Functions By Hiroki Nakamura... [Pg.476]

Fig. 59. Molecular modification of semiconductor silicon surfaces. Removal of the oxide generates a hydrogen-terminated layer that reacts with a range of molecular functional groups including alkenes. [Pg.150]

FIGURE 24.6 Model of the molecular function of CBP. CBP moves in the cytosol and relays carotenoid in combination with the lipophorin in the hemolymph. At the membrane, other factors might be involved in the carotenoid transport (magnification, see the text for explanation). [Pg.518]

This chapter first discusses basic structural principles relating to the main classes of glycoconjugates in order to assist understanding of nematode structures. It then focuses on a selection of parasitic nematodes where detailed structural data on glycoconjugates have been obtained in recent years and where this structural information is starting to provide insights into possible molecular functions. [Pg.294]

Floderus, Y., Shoolingin-Jordan, R M. and Harper, P. Acute intermittent porphyria in Sweden. Molecular, functional and clinical consequences of some new mutations found in the porphobilinogen deaminase gene. Clin. Genet. 62 288-297, 2002. [Pg.628]

Joly, C., Gomeza, J., Brabet, I., Curry, K., Bockaert, J., and Pin, J.-P. (1995) Molecular, functional, and pharmacological characterization of the metabotropic glutamate receptor type 5 splice variants comparison with mGluRl../. Neurosci. 15, 3970-3981. [Pg.79]

In this chapter, it will be described how we have utilized endogenous and engineered Zn2+ binding sites to explore the structure and molecular function of Na+/Cl -depen-dent neurotransmitter transporters. The work has not only allowed the definition of the first structural constraints in the tertiary structure of this class of transporters, but also provided new insight into both conformational changes accompanying substrate translocation and mechanisms governing conformational isomerization in the translocation cycle. In the chapter, we will also review the theoretical and practical basis for... [Pg.193]

The highly oriented molecules in thin organic films such as Langmuir-Blodgett (LB) films and self-assembled monolayers (SAM) [1] are essential for some molecular functions. Non linear optical and opto-electronic properties are two of the most important and interesting functions of these molecular assemblies. In the past more than thirteen years, simulation of the primary process of photosynthesis using such molecular assemblies and its application to molecular photodiodes [2,3] have been one of the main subjects of our laboratory. [Pg.192]

Concept Synthetic approaches to crystal targets will not, in general, be reliable if the design strategy involves independent manipulations of molecular functionality. This condition arises because the recognition between molecules, which precedes crystallization, is necessarily complementary. Yet, correspondences between molecular... [Pg.293]


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Ab Initio, Density-Functional, Semiempirical, and Molecular-Mechanics Methods

And generalized molecular distribution functions

Applications, molecular electronics functional materials

Are Molecular Exchange-correlation Functionals Transferable to Crystals

Autocorrelation function molecular motion

Autocorrelation function, molecular

Average molecular partition function

Calculation of molecular electronic wave functions and energies

Canonical molecular orbitals and localized functions

Carbon molecular sieve material functionalization

Centroid molecular dynamics functions

Classical molecular partition function

Computable similarity function, molecular

Computational technique atomic orbitals as building blocks of the molecular wave function

Correlation function molecular absorption spectroscopy

Correlation function molecular reorientation

Correlation functions molecular pair

Correlation functions, direct molecular

Coupled cluster-molecular mechanics response function

Density functional theory coupled with molecular mechanics

Density functional theory molecular calculations

Density functional theory molecular orbital bonding analysis

Density functional theory molecular properties

Density functional theory molecular system simulations

Density functional theory quantum mechanics/molecular

Density functional theory quantum mechanics/molecular dynamic

Density functional theory, direct molecular

Density functionals molecular properties

Density functions molecular extended

Density-functional molecular dynamics

Density-functional theory combined with molecular dynamics

Density-functional theory molecular

Derivatives of the Molecular Mechanics Energy Function

Design, molecular function oriented

Designing functional molecular system

Designing functional molecular system clusters

Designing functional molecular system nanomaterials

Designing functional molecular system receptors

Designing functional molecular system sensors

Distribution functions molecular size

Electron nuclear dynamics , molecular function

Electrostatic potential, molecular interactive electronic density function

Enzymatic hydrolysis molecular weight function

Equilibrium constants and molecular partition functions

Experimental Molecular Intensity Functions

Factoring the Molecular Partition Function

Factorization of the molecular partition function

Finite molecular assemblies functional solids

Frequency-time correlation function molecular liquids

From Functional Groups to Extended Molecular Regions

Function molecular weight

Functional Groups in Molecular Mechanics

Functional groups molecular design

Functional molecular squares

Functional molecular system design

Functionality and molecular weight

Generalized molecular distribution functions

Geometric phase effect total molecular wave function

Greens functions of molecular subsystems in the condensed phase

Hermans molecular orientation function

Higher-Order Molecular Distribution Functions

Highest occupied molecular orbital wave function

Hydrogen Bonding and Molecular Packing in Multi-functional Crystal Structures

In Terms of the Molecular Partition Function

Irreducible representations total molecular wave function

Lennard-Jones potential energy function molecular dynamics calculations

Localized functions molecular ‘orbitals

Lowest unoccupied molecular orbital wave function

Many-electron molecular wave functions

Matches function molecular formula

Membrane channel protein, function molecular model

Model systems molecular response functions

Molecular Basis Sets of Gaussian-type Functions

Molecular Catalysts for Selective CH Functionalization

Molecular Devices with Directional Functionality Supermolecules that Transmit Signals in a Desired Direction

Molecular Rotational Partition Function

Molecular Translational Partition Function

Molecular Vibrational Partition Function

Molecular Wave Functions and Valence Bond Theory

Molecular angular velocity autocorrelation function

Molecular complexity functional

Molecular conformation, functional properties

Molecular density functional ZORA EFG calculations

Molecular density functional methods

Molecular distribution functions

Molecular distribution functions and thermodynamics

Molecular distribution functions in mixtures

Molecular distribution functions in the grand canonical ensemble

Molecular distribution functions singlet

Molecular dynamics velocity correlation function

Molecular fields Gaussian functions

Molecular force field, analytical energy function

Molecular function

Molecular function Gaussian wavepacket propagation

Molecular function approximation

Molecular function basic principles

Molecular function basis expansion

Molecular function conjugate gradient methods

Molecular function derivation

Molecular function electron transfer, Marcus theory

Molecular function examples

Molecular function external field control

Molecular function hydrogen transmission

Molecular function improvement

Molecular function iterative methods

Molecular function metastable state decay

Molecular function nonadiabatic chemical dynamics

Molecular function objective functional derivative

Molecular function overview

Molecular function photochromism

Molecular function photodissociation

Molecular function problem solutions

Molecular function solution

Molecular function summary

Molecular function theoretical formulation

Molecular function theory

Molecular function time-dependent Schrodinger equation

Molecular function utilization

Molecular functional unit

Molecular genetics functional genomics

Molecular integral evaluation Boys function

Molecular interference function

Molecular logic function

Molecular machines function

Molecular mechanics cross term function

Molecular mechanics energy function

Molecular mechanics functions

Molecular mechanics potential functions

Molecular modeling density functional theory

Molecular modelling Morse function

Molecular modelling solid-state density functional methods

Molecular motion, biological functioning

Molecular one-electron functions

Molecular orbital and density functional

Molecular orbital model, wave function

Molecular orbital theory wave-function coefficients

Molecular orbital wave functions

Molecular orbitals , nuclear magnetic density functional theory, electron

Molecular orbitals basis function expansion

Molecular orbitals from atomic orbital wave functions

Molecular orbitals functions

Molecular partition function

Molecular partition function applications

Molecular partition function calculation

Molecular partition function canonical

Molecular partition function functions

Molecular partition function nuclear contributions

Molecular partition function quantum

Molecular partition functions electronic

Molecular partition functions rotation

Molecular partition functions translation

Molecular partition functions vibration

Molecular quantum similarity basis functions

Molecular scattering intensity function

Molecular similarity analysis functions/coefficients

Molecular stress distribution function

Molecular stress function

Molecular stress function model

Molecular structure nuclear wave function

Molecular structure programs atom function

Molecular structure programs bond function

Molecular structures reference functions

Molecular system exact” wave function

Molecular systems cyclic wave functions

Molecular wave functions

Molecular wave functions and properties

Molecular wave functions, symmetry properties

Molecular weight calibration function

Molecular weight density function

Molecular weight distribution function

Molecular weight distributions exponential functions

Molecular weight retention volume, function

Molecular weight, effect nucleation function

Molecular-beam experiments yielding excitation functions

Molecular-orbital functions

Monoelectronic molecular wave functions

Normalized molecular weight function

Nuclear dynamics total molecular wave function

Organic-functionalized molecular sieve

Partition function total molecular

Partition functions molecular properties derivation

Partition functions, molecular, molar

Path-integral molecular dynamics partition functions

Patterson function molecular replacement

Permutational symmetry, total molecular wave function

Perspectives Molecular Functional Groups

Photo-functional molecular assemblies

Polarizable continuum model molecular response functions

Porphyrin derivatives, functional molecular receptors

Potential energy functions, molecular dynamics

Protein molecular evolution function

Quantum molecular density functional theory

Quantum molecular functionals

Quantum statistical mechanics molecular partition function

Radial distribution function molecular

Reactions of Functionalized TSOSs in Molecular Solvents

Relations between thermodynamic quantities and generalized molecular distribution functions

Relativistic molecular orbitals, types functions

Singlet generalized molecular distribution function

Spectral density functions, molecular dynamics

Spectral density functions, molecular dynamics calculations

Steroid Molecular Structure, Protein Interaction and Biological Function

Symmetric properties total molecular wave function

Synthesis of Molecular Scale Devices with Heteroatomic Functionalities

The Calculation of Molecular Partition Functions

The Relationship between Molecular Orbital and Valence Bond Wave Functions

The molecular partition function

The singlet generalized molecular distribution function

Thermodynamic functions of molecular solids

Thermodynamic quantities expressed in terms of molecular distribution functions

Time correlation functions centroid molecular dynamics

Total molecular wave function

Total molecular wave function, permutational

Transition metals designing functional molecular systems

Vitamin molecular function

Volumetric functions, molecular similarity

Wave function analysis localized molecular orbitals

Wave function direct molecular dynamics

Wave functions, molecular systems

Wave functions, molecular, correlated methods

Why is the Switch Function Indispensable in Molecular Receptors

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