'Free energies' presentation slideshows

Computational approaches for RNA energy parameter estimation

Computational approaches for RNA energy parameter estimation. Mirela Andronescu Department of Computer Science. Supervisors Anne Condon Holger Hoos. Committee David Mathews Kevin Murphy. Tertiary structure. Secondary structure. a set of base pairs: A-U,C-G, G-U. RNA structure.

909 views • 68 slides

Michaelis-Menten Equation

Maud Menten. V max S. V o = . K m + S. Michaelis-Menten Equation. again, a rectangular hyperbola. rh. V max S. V o = . K m + S. Michaelis-Menten Equation. when there is no S, V 0 is also 0 . as S gets big, V 0 approaches V max. saturable. rh. fig 6-11.

6.06k views • 42 slides

Just enough biochemistry to be dangerous??

Just enough biochemistry to be dangerous??. http://www.detoxi-pad.com/. Just enough biochemistry to be dangerous??. http://www.tahitiannoni.com/united_states/english/retail/store/research/index.html. Chapter 15. Design of metabolism. http://www.chem.uwec.edu/Chem454_S08/MetabolicchartBig.pdf.

694 views • 36 slides

Jason D. Thompson, Benjamin J. Lynch, Casey P. Kelly,

Development of Methods for Predicting Solvation and Separation of Energetic Materials in Supercritical Fluids. Jason D. Thompson, Benjamin J. Lynch, Casey P. Kelly, Christopher J. Cramer, and Donald G. Truhlar Department of Chemistry and Supercomputing Institute University of Minnesota

441 views • 35 slides

V. Determining Spontaneity

702 views • 30 slides

By Kaila Bennett, Amitoj Chopra, Jesse Johnson, Enrico Sagullo

Development of Software Package for Determining Protein Titration Properties Final Presentation Winter 2010. By Kaila Bennett, Amitoj Chopra, Jesse Johnson, Enrico Sagullo. Background. Electrostatic interactions are very important for the function of proteins which include: Binding

455 views • 27 slides

By Kaila Bennett, Amitoj Chopra, Jesse Johnson, Enrico Sagullo

Development of Software Package for Determining Protein Titration Properties Final Presentation Winter 2010. By Kaila Bennett, Amitoj Chopra, Jesse Johnson, Enrico Sagullo. Background. Electrostatic interactions are very important for the function of proteins which include: Binding

371 views • 25 slides

Hydration Free Energy Profiles of Amino Acid Side Chains at Water-Air Interface

Hydration Free Energy Profiles of Amino Acid Side Chains at Water-Air Interface. Lomonosov Moscow State University Faculty of Biology Department of Bioengineering. Alexey Shaytan. alex@molsim.org. MSU. founded 1755 39 faculties and 15 research institutions ~35 000 students

404 views • 25 slides

Glycolysis

Glycolysis. Glucose utilization in cells of higher plants and animals. Glycolysis. What is it? 10-step metabolic pathway Starts the breakdown of glucose to get energy. Glycolysis. Glycolysis consists of reactions that convert glc to pyruvate

799 views • 20 slides

New Time Reversal Parities and Optimal Control of Dielectrics for Free Energy Manipulation

New Time Reversal Parities and Optimal Control of Dielectrics for Free Energy Manipulation. Scott Glasgow Brigham Young University , Provo Utah 84602 USA glasgow@math.byu.edu Chris Verhaaren University of Maryland, Department of Physics cver@umd.edu John Corson

287 views • 20 slides

New Time Reversal Parities and Optimal Control of Dielectrics for Free Energy Manipulation

New Time Reversal Parities and Optimal Control of Dielectrics for Free Energy Manipulation. Scott Glasgow Brigham Young University , Provo Utah 84602 USA glasgow@math.byu.edu Chris Verhaaren University of Maryland, Department of Physics cver@umd.edu John Corson

287 views • 20 slides

Virtual screening and modelling: must it be atoms?

305 views • 19 slides

Verification of the Crooks fluctuation theorem and recovery of RNA folding free energies

291 views • 16 slides

Proper Heavy Quark Potential from the Thermal Wilson Loop

Proper Heavy Quark Potential from the Thermal Wilson Loop. Alexander Rothkopf. In collaboration with T. Hatsuda and S. Sasaki see also arXiv:0910.2321. ???????????????????????????? ???????????????????????. Motivation. T ? 2 T C pQGP. T=2T C. or. T ? T C sQGP. T=T C.

245 views • 15 slides

Electron transfer through proteins

Electron transfer through proteins. Myeong Lee (02/20/2006). Agenda. Free energy calculations Hybrid QM/MM approach Solvent models (effects) Further issues Sample systems. Redox-active prosthetic groups (coenzymes) [Fe-S] clusters Cytochrome c - heme NAD, FAD

336 views • 14 slides

Chapter 8: Free Energies

219 views • 11 slides

?G Solvation

?G Solvation. Continuum Electrostatics. ?G Solvation. ? sol G = ? VdW G + ? cav G + ? elec G ? VdW G = solute-solvent Van der Waals ? cav G = work to create cavity in solvent = surface tension x surface area Entropy penalty for rearrangement of water molecules

263 views • 11 slides

Evaluating Free Energies of Binding using Amber: The MM-PBSA Approach

Evaluating Free Energies of Binding using Amber: The MM-PBSA Approach. Evaluating Free Energies of Binding: MM-PBSA. The acronym MM-PBSA stands for M olecular M echanics- P oisson B olzmann S urface A rea

424 views • 10 slides

poly(SULL)

An Investigation of Chiral Recognition in Electrokinetic Chromatography by means of NMR Spectroscopy Kevin Morris, Department of Chemistry Carthage College.

131 views • 1 slides

Binding Free Energies of Water Molecules in Protein Active Sites

W. Coul. VdW. D A s. D A r. D A w. D A tot. rms. w1. 12.1. -1.9. 0.4. -3.0. 5.9. 1.7. 0.1. w2. 8.7. -1.4. 0.4. -3.2. 5.9. -1.4. 0.4. w3. 13.4. -1.1. 0.4. -3.2. 5.9. 3.6. 0.1. UIC. w4. 14.9. -1.1. 0.4. -3.2. 5.9. 4.0. 0.4. 3+4. 22.4. 0.7. 0.8. -6.8.

89 views • 1 slides