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- Energy minimization ... olves identifying the conformation of a molecule that has lowest potential energy. ... ee to 360 degrees, calculating the energy of each structure generated. The energy in this case is a function of just two variables.3 KB (449 words) - 09:57, 1 September 2008
- New Synthetic Energy Agenda ... – only this time the spotlight isn’t shining on agri-food, but on agri-energy. ... ier by Aristides Patrinos, then-associate director of the US Department of Energy’s (DOE) Office of Biological and Environmental Research.16 KB (2479 words) - 17:57, 14 September 2008
- You need a lot more energy to play tetris battle Lol P 27
1 KB (209 words) - 20:56, 20 January 2012
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- Virtual screening ... methods are typically empirically derived functions for estimation of free energy of binding, usually calibrated against a data set of heterogeneous recepto ...5 KB (724 words) - 06:29, 11 August 2008
- Docking ... hat bind strongly in the active site of target molecule and having minimum energy may be act as potential drug molecule. * Empirical free energy scoring functions4 KB (593 words) - 04:42, 17 September 2008
- Molecular Mechanics ... chanics''' or force-field methods use classical type models to predict the energy of a molecule as a function of its conformation. It is an empirical method ... Molecular mechanics can be used to supply the potential energy for molecular dynamics computations on large molecules. However, they are ...8 KB (1146 words) - 08:33, 26 August 2008
- Homology Modeling ... or a global optimization procedure that originally used conjugate gradient energy minimization to iteratively refine the positions of all heavy atoms in the ... ... energy calculations. Both methods produce an estimate of the energy (or an energy-like analog) for the model or models being assessed; independent criteria ...9 KB (1291 words) - 11:19, 19 August 2008
- Drug dose ... the energy deposited in a medium by ionizing radiation. It is equal to the energy deposited per unit mass of medium, and so has the unit J/kg, which is give ... ... e radiation weighting factor, wR. This factor is selected for the type and energy of the radiation incident on the body, or in the case of sources within th ...8 KB (1322 words) - 08:32, 11 August 2008
- Docking (molecular) ... d and relative orientation between protein and ligand such that the [[free energy]] of the overall system is minimized. ... uate the optimal pose of binding since they have to explore a rather large energy landscape. However grid-based techniques as well as fast optimization meth ...12 KB (1708 words) - 05:48, 17 September 2008
- Software for molecular mechanics modeling !align:center| Helix, loop, and side chain optimization. Fast energy minimization.6 KB (829 words) - 07:46, 18 August 2008
- QSAR ... (shape of the molecule) and the electrostatic fields based on the applied energy function.6 KB (859 words) - 09:16, 20 August 2008
- Protein Structure Prediction ... ergy surface of the protein molecule. The conformation having minimum free energy is considered as the native conformation of the protein. ... mber of degrees of freedom to be considered and the limited performance of energy functions.3 KB (489 words) - 06:17, 18 August 2008
- DNA ... clude [[oxidizing agent]]s, [[Alkylation|alkylating agents]] and also high-energy [[electromagnetic radiation]] such as [[ultraviolet]] light and [[X-ray]]s ... ... are proteins that are a type of [[molecular motor]]. They use the chemical energy in [[nucleoside triphosphate]]s, predominantly [[Adenosine triphosphate|AT ...82 KB (11827 words) - 06:08, 20 August 2008
- Vaccine ... tor, Center for Biologics, Evaluation and Research Before the Committee on Energy and Commerce United States House of Representatives | date=2005-05-04 | pu ...21 KB (3042 words) - 07:01, 19 August 2008
- Synthetic biology ... rmation, manipulate chemicals, fabricate materials and structures, produce energy, provide food, and maintain and enhance human health and our environment . ... ... n life raises new questions for bioethics, biosecurity, biosafety, health, energy and intellectual property. To date considerable focus has been given to th ...17 KB (2568 words) - 06:47, 17 September 2008
- Hydrogen bond ... nd", which must not be confused with a [[covalent bond]] to hydrogen). The energy of a hydrogen bond (typically 5 to 30 kJ/mole) is comparable to that of we ... ... g is generally still a [[bound state]] phenomenon, since the [[interaction energy]] has a net negative sum. The initial theory of hydrogen bonding proposed ...19 KB (2877 words) - 09:05, 20 August 2008
- Ampligen More common benefits include improved [[cognitive]] skills, an increase in energy, and greater oxygen uptake. These improvements can be measured on the [[Ka ...20 KB (2874 words) - 11:26, 22 August 2008
- List of sequenced eukaryotic genomes |US Department of Energy Office of Science Joint Genome Institute14 KB (1662 words) - 04:52, 17 September 2008
- Computational chemistry ... tuent atoms), absolute and [[interaction energy|relative]] (interaction) [[energy|energies]], [[electron]]ic [[charge density|charge distribution]]s, [[dipo ... ... r more accurate quantum chemical methods, to find stationary points on the energy surface as the position of the nuclei is varied.29 KB (4051 words) - 07:26, 25 August 2008
- Molecul;ar Modelling ... netic energies. Methods which minimize the potential energy are known as [[energy minimization]] techniques (e.g., [[steepest descent]] and [[conjugate grad ... ... is defined as the negative gradient of the potential energy function. The energy minimization technique is useful for obtaining a static picture for compar ...8 KB (1088 words) - 09:16, 1 September 2008
- Simulated annealing ... ling gives them more chances of finding configurations with lower internal energy than the initial one. ... from an arbitrary ''initial state'', to a state with the minimum possible energy.22 KB (3441 words) - 08:51, 26 August 2008
- Protein design ... ve state conformation of a protein is the [[Thermodynamic free energy|free energy]] minimum for the protein chain, at least at biological temperatures (i.e. ... ... he identification of the sequences which have the chosen structure as free energy minimum. This can be done by use of [[bioinformatics|computer models]], wh ...5 KB (750 words) - 09:27, 26 August 2008
- Lattice protein ... (usually cubic) lattice. This simplification means they can fold to their energy minima in a time quick enough to be simulated. ... nd [[hydrogen bonding]] effects. The beads are divided into types, and the energy function specifies the interactions depending on the bead type, just as di ...3 KB (481 words) - 09:52, 17 September 2008
