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Protein Structure
Protein Structure

... and derive conformations that yield minimal energies based on this function • Simulation = select appropriate molecular conditions and derive conformations that are suited to these molecular conditions • Monte Carlo = subset of molecular simulation, but it is an iterated search through a Markov chai ...
Chemical Reactions Notes-1a-1
Chemical Reactions Notes-1a-1

... The positive ions have the surrounding oxygen atoms of water pointing towards the ion, negative ions have the surrounding hydrogen atoms of water pointing towards the ion. The transport of ions through the solution causes electric current to flow through the solution. ...
Problem Set 2 (multiple choice) Biochemistry 3300 1. What classes
Problem Set 2 (multiple choice) Biochemistry 3300 1. What classes

... 19. All of the following contribute to the large, negative, free-energy change upon hydrolysis of “high-energy” compounds except: a) electrostatic repulsion in the reactant. b) low activation energy of forward reaction. c) stabilization of products by extra resonance forms. d) stabilization of produ ...
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... Cations (+) and Anions (-): the cations will be attracted to the negative electrode & the anions will be attracted to the positive electrode. This movement sets up an electric current that is equivalent to the flow of electrons along a metal wire. ...
Chapter 4: Chemical Quantities and Aqueous Reactions
Chapter 4: Chemical Quantities and Aqueous Reactions

... 6.  In most compounds, oxygen has an oxidation number of –2. 7.  In binary compounds with metals, group 7A elements have an oxidation number of –1, group 6A elements have an oxidation number of –2, and group 5A elements have an oxidation number of –3. ...
Biochemistry Assessment
Biochemistry Assessment

... element- simplest/smallest unit of matter which retains the properties of the matter covalent bond/the sharing of electrons carbohydrate form of protoplasm which contains sugar nucleotide – one of five components of DNA or RNA, adenine, cytosine, guanine, thymine or uracil; constructed of a sugar, p ...
Section 1 The Nature of Chemical Reactions
Section 1 The Nature of Chemical Reactions

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chemical reaction
chemical reaction

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Final Exam SG Part 1 (Unit 5).
Final Exam SG Part 1 (Unit 5).

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Smith Reaction- HW PSI Chemistry
Smith Reaction- HW PSI Chemistry

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Methods in Molecular Biology
Methods in Molecular Biology

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The Frog Cell Cycle

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PPT: Chemical Reactions and Equations
PPT: Chemical Reactions and Equations

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From molecular activities and processes to biological function

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... out on the extended structure of cathelicidin using two different force fields AMBER ff96 and AMBER ff99. The MD simulations were performed at 300K using Langevin thermostat and Onufriev, Bashford and Case (OBC) implementation of the Generalized Born (GB) approximation. Dielectric constant in the pe ...
Effects of alkyl chain length and degree of unsaturation at the α
Effects of alkyl chain length and degree of unsaturation at the α

... makeup, and their applications, carbohydrate based gelators are relatively under reported in the literature. This could be due to the fact that other molecules (e.g. fatty acids) are just more obvious for use as a gelator in that they exist in nature as having an amphiphilic structure. Many carbohyd ...
Catalytic Leuckart−Wallach-Type Reductive Amination of Ketones
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... corresponding secondary or primary alkylamines without isolation of the intermediary imines or hydroxy amines.1 The reaction with formic acid as a reducing agent is called the Leuckart-Wallach (LW) reaction.2 The LW reaction is very simple and clean, but it suffers from several drawbacks such as the ...
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Three-Point Binding Model

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Chem 150 Unit 12 - Metabolism
Chem 150 Unit 12 - Metabolism

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The Heck reaction
The Heck reaction

... Shawn P. Maddaford, Neil G. Andersen, Walter A. Cristofoli & Brian A. Keay, J. Am. Chem. Soc. 1996, 118, 10766 Review of asymmetric Heck: Chem. Rev. 2003, 103, 2945 ...
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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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