Blogs about: Molecular Modeling
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Model #5 - Regiochemistry of 3+2 Cycloaddition
(First posted on April 30, 2008. This assignment and the resulting analysis illustrates the kinds of stuff you might base your final project on. Let me know if you have any questions about the followi… more →
Chemistry 324 - Spring 2009
Week 2 Schedule
Ryan Reardon wrote 3 months ago: Monday: Carbon and Functional Groups (Ch. 4). Intro to molecular modeling Tuesday: Carbohydrates and … more →
Get Over The Recession, Get Into MGL's Advanced Bioinformatics
masconglobal wrote 6 months ago: MGL Health care and Life Sciences division provides you an excellent opportunity to excel yourself i … more →
Model #5 - Regiochemistry of 3+2 Cycloaddition
Alan wrote 7 months ago: (First posted on April 30, 2008. This assignment and the resulting analysis illustrates the kinds of … more →
ZPE corrections
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Alan wrote 8 months ago: Homework #6 instructs you to “include zero-point energy (ZPE) corrections” in your calcu … more →
Searching for Transition States
Alan wrote 8 months ago: Today’s class revealed some of the practical difficulties of searching for transition states u … more →
Paper #4 - Importing published models into Spartan
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Alan wrote 1 year ago: Authors often file additional material with their papers that does not get published in the journal … more →
Model #3 - Rotation Barriers
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Alan wrote 1 year ago: A few days ago I showed you how to model an energy profile for internal rotation. As part of that ex … more →
HW #3 - Modeling tips
Alan wrote 1 year ago: When you generate a list of models, e.g., conformers, there are two ways to get information about th … more →
Model #2 - Thermochemistry
Alan wrote 1 year ago: I have posted some background information on energy calculations here (required reading). I have als … more →
Model #1 - Transition States & Isomers
Alan wrote 1 year ago: On Fri (Feb 1) we used transition state models to follow atoms from reactants to products in Diels-A … more →
Useful Site...
walkerma wrote 1 year ago: Free computer tools in Structural Bioinformatics and Chemoinformatics … more →
My First PyMol Image
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D. Borst wrote 2 years ago: So eventually, if you want to do work with proteins, you have to actually look at some. I suppose it … more →
