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... over a temperature range of 1305e1554 K at pressures ranging from 1.68 to 2.13 bar. The 23 H-atom profiles obtained from the 1hexene experiments were measured at temperatures between 1253 and 1398 K and pressures between 1.48 and 2.02 bar. Peukert et al. recommended a 13-step reaction model, which is ...
Facing the challenges of multiscale modelling of Linköping University Post Print
Facing the challenges of multiscale modelling of Linköping University Post Print

... even simple models are sufficient to draw conclusions that could not have been drawn without the models, or where previous conclusions drawn without the models have led to erroneous results [1, 2]. However, sometimes the structure of the underlying problem requires the use of more complex models: mu ...
Crossing borders to bind proteins—a new concept in protein
Crossing borders to bind proteins—a new concept in protein

... frequently been well investigated and the literature is rich in small organic molecules designed to bind important biomarkers, but with affinities and selectivities insufficient for biomedical applications. They are excellent starting points for the development of binder molecules. When small molecu ...
Unit 6 Study Guide - Dorman High School
Unit 6 Study Guide - Dorman High School

... When the following equation is balanced in standard form, what is the coefficient in front of the underlined substance? C2H6(g) + O2(g)  CO2(g) + H2O(l) A) 1 B) 2 C) 3 D) 4 E) 5 ...
Oxidation of benzoin with anchored vanadyl and
Oxidation of benzoin with anchored vanadyl and

... carried out in the absence of catalyst, was very slow and low yields of benzil were obtained even when the reaction was allowed to proceed for a longer time (up to 32 h). Experiments were carried out using (i) the organic polymer without ligand and metal complex and (ii) the organic polymer function ...
Chapter 1 Introduction
Chapter 1 Introduction

... growth of TMDC crystals [20-25]. The technique mainly depends on a chemical reaction between the source material to be crystallized and a transporting agent. The reaction product is volatile and can be transported into the vapour phase at temperatures well below the melting point of the compound. Tr ...
Coordination and Chemistry of Stable Cu (II) Complexes in the Gas
Coordination and Chemistry of Stable Cu (II) Complexes in the Gas

... Experiments have been undertaken on the solvation of Cu(II) in association with the 20 ligands listed in Table 1. Also listed are several physical properties of the ligands that could have an influence on the stability of a given complex. In two instances it was not possible for a ligand to stabiliz ...
Hydrophilic Linkers and Polar Contacts Affect Aggregation of FG
Hydrophilic Linkers and Polar Contacts Affect Aggregation of FG

... merging numerous strands of experimental data (5,6). Whereas small molecules and proteins can pass through NPCs by free diffusion, larger macromolecules are strictly excluded from crossing the nuclear envelope unless they are bound to nuclear transport receptors (NTRs). Transport receptor/cargo comp ...
Sequence-based prediction of protein interaction
Sequence-based prediction of protein interaction

... integrative random forest method for predicting interaction sites. Random forest tree has been applied to protein–protein interaction prediction in our recent work (Chen and Liu, 2005), but not to binding site problems. When the input space is extraordinarily large as in our application, random subs ...
Crystal structure of plant photosystem I
Crystal structure of plant photosystem I

... only of energy and electron transfer but also of the evolutionary forces that shaped the photosynthetic apparatus of terrestrial plants after the divergence of chloroplasts from marine cyanobacteria one billion years ago. Oxygenic photosynthesis, the conversion of sunlight into chemical energy by pl ...
Finals Practice Exam answers
Finals Practice Exam answers

... Spring 2004 BCHS 3304 Final Exam Review1). The TR transition of hemoglobin upon binding of oxygen to the heme has been thoroughly investigated. On a thermodynamic level, this TR transition can be described as (primarily) an enthalpically driven process. Which of the following phenomena in the TR ...
Enzymes II: Regulation
Enzymes II: Regulation

... isoenzymes (or isozymes), and those which are genetically determined may be called primary isoenzymes. The different primary isoenzymes catalyze the same chemical reaction but may differ in their primary structure and kinetic properties. The tissue distribution of isoenzymes imparts distinctive prop ...
Metabolism & Enzymes
Metabolism & Enzymes

...  reactant which binds to enzyme  enzyme-substrate complex: temporary association ...
Enzymes and Metabolism
Enzymes and Metabolism

...  reactant which binds to enzyme  enzyme-substrate complex: temporary association ...
Metabolism & Enzymes
Metabolism & Enzymes

...  More accurate model of enzyme action 3-D structure of enzyme fits substrate  substrate binding cause enzyme to change shape leading to a tighter fit ...
enzymes - AP Bio Take 5
enzymes - AP Bio Take 5

...  reactant which binds to enzyme  enzyme-substrate complex: temporary association ...
1442 Final Review
1442 Final Review

... 36. If the concentration of hydroxide ion in a certain solution is 5.8 x 10-3 M, what is the pH of the solution? a) 3.58 b) 10.42 *c) 11.76 d) 11.42 e) 2.24 37. What is the pH of 0.035 M HClO4? a) 2.65 b) 3.52 c) 2.35 *d) 1.46 e) 1.65 38. What is the pH of 0.025 M barium hydroxide? a) 1.30 b) 1.60 c ...
Systemic Delivery of siRNA by a Plant PHLOEM SMALL RNA
Systemic Delivery of siRNA by a Plant PHLOEM SMALL RNA

... plants in which c-Myc4-His8 tagged rbcS, GFP, CmPSRP1 WT, Qm and ∆C were expressed using a ZYMV vector. Total proteins extracted from infected tissues (10 µg) and phloem exudate (40 µg) were separated on 13% SDS-PAGE gels and analyzed by protein gel blot analysis using anti-c-Myc mAb. (b) CmPSRP1, Q ...
A proton wire to couple aminoacyl-tRNA
A proton wire to couple aminoacyl-tRNA

... residues A2602 and A2451 of the 23S rRNA, the 3′ end of the A-site occupancy of 0.7. tRNA and the N terminus of protein L27 (Fig. 2a,c). Although density for this water was absent from the Hma 50S-subunit preattack struc- A proton wire connects the attacking amine to W1 ture4, it could nevertheless ...
CHAPTER 9
CHAPTER 9

... Statements: (1) Electron loss is always associated with an increase in oxidation number. (2) An exothermic reaction occurs when the energy required to break bonds in reactants is less than the energy released by bond formation in the products. (3) The concentrations of pure liquids and pure solids a ...
Reactions Balancing Chemical Equations uses Law of conservation
Reactions Balancing Chemical Equations uses Law of conservation

... Solution reactions Gas phase reactions ...
Topic 6 Kinetics File
Topic 6 Kinetics File

... (calcium carbonate) and nitric acid to be the greatest? A. Powdered marble and 2 mol dm-3 acid at 40 ºC. B. Powdered marble and 0.5 mol dm-3 acid at 40 ºC. C. Powdered marble and 2 mol dm-3 acid at 20 ºC. D. Marble chips and 0.5 mol dm-3 acid at 40 ºC. 11. In which one of the following reactions wou ...
Environmental Health and Toxicology
Environmental Health and Toxicology

... • A phenomenon in which a xenobiotic causes  in the biosynthesis of an enzyme. • Proceeds via a cytoplasmic receptor-inducer complex, which in turn interacts with an appropriate gene to cause an  in production of the enzyme. • Cytochrome P-450 exists in different forms and these isozymes are induc ...
The Reaction Rates of O2 with Closed-Shell and Open
The Reaction Rates of O2 with Closed-Shell and Open

... Gax− clusters. Though Ga is a homologue of Al, it exhibits many differences: Unexpectedly, the electronegativity (EN) of Ga, at 1.8, is higher than that of Al (1.5). Ga has seven crystalline modifications; these vary in their bond formation from covalent bonding as in the case of boron toward metallic ...
07 Enzyme Catalysis
07 Enzyme Catalysis

...  reactant which binds to enzyme  enzyme-substrate complex: temporary association ...
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Multi-state modeling of biomolecules

Multi-state modeling of biomolecules refers to a series of techniques used to represent and compute the behaviour of biological molecules or complexes that can adopt a large number of possible functional states.Biological signaling systems often rely on complexes of biological macromolecules that can undergo several functionally significant modifications that are mutually compatible. Thus, they can exist in a very large number of functionally different states. Modeling such multi-state systems poses two problems: The problem of how to describe and specify a multi-state system (the ""specification problem"") and the problem of how to use a computer to simulate the progress of the system over time (the ""computation problem""). To address the specification problem, modelers have in recent years moved away from explicit specification of all possible states, and towards rule-based formalisms that allow for implicit model specification, including the κ-calculus, BioNetGen, the Allosteric Network Compiler and others. To tackle the computation problem, they have turned to particle-based methods that have in many cases proved more computationally efficient than population-based methods based on ordinary differential equations, partial differential equations, or the Gillespie stochastic simulation algorithm. Given current computing technology, particle-based methods are sometimes the only possible option. Particle-based simulators further fall into two categories: Non-spatial simulators such as StochSim, DYNSTOC, RuleMonkey, and NFSim and spatial simulators, including Meredys, SRSim and MCell. Modelers can thus choose from a variety of tools; the best choice depending on the particular problem. Development of faster and more powerful methods is ongoing, promising the ability to simulate ever more complex signaling processes in the future.
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