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Title | William L. Jorgensen Research Group - Welcome to the Jorgensen |
Description | Studies of organic reactions in solution and in enzymes using Monte Carlo and semiempirical QM/MM simulations. (Yale |
Keywords | yale, yale university, qm, mm, semiempirical, pddg, pmf, fep, quantum mechanics, molecular mechanics, dft, monte carlo, molecular simulations, boss, mcpro, qikprop, qiksim, cameo, jorgensen, william jorgensen |
WebSite | jorgensenresearch.com |
Host IP | 3.33.152.147 |
Location | United States |
Site | Rank |
US$910
Last updated: 2023-05-18 02:52:50
jorgensenresearch.com has Semrush global rank of 0. jorgensenresearch.com has an estimated worth of US$ 910, based on its estimated Ads revenue. jorgensenresearch.com receives approximately 105 unique visitors each day. Its web server is located in United States, with IP address 3.33.152.147. According to SiteAdvisor, jorgensenresearch.com is safe to visit. |
Purchase/Sale Value | US$910 |
Daily Ads Revenue | US$0 |
Monthly Ads Revenue | US$25 |
Yearly Ads Revenue | US$302 |
Daily Unique Visitors | 7 |
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jorgensenresearch.com. | A | 600 | IP: 3.33.152.147 |
jorgensenresearch.com. | A | 600 | IP: 15.197.142.173 |
jorgensenresearch.com. | NS | 3600 | NS Record: ns15.domaincontrol.com. |
jorgensenresearch.com. | NS | 3600 | NS Record: ns16.domaincontrol.com. |
jorgensenresearch.com. | MX | 3600 | MX Record: 10 mailstore1.secureserver.net. |
jorgensenresearch.com. | MX | 3600 | MX Record: 0 smtp.secureserver.net. |
William L. Jorgensen Research Group Yale University Department of Chemistry Home Jorgensen Symposium Research Publications Software LigParGen OPLS-AA/M Members Alumni Pictures Links Internal pages Welcome to the Jorgensen Lab For many years, the Jorgensen Research Group has been at the forefront of computational chemistry and molecular design. Below is an outline of our progress: 1976-82 QM studies of organic ions & ion-molecule complexes 1978- MC for liquids, OPLS force field development 1980- Solvent effects on conformational equilibria 1980-95 Development of CAMEO for prediction of products of organic reactions 1983 TIP3P & TIP4P water models 1984 Free-energy profiles for S N 2 reactions in solution 1985 1st FEP calculation: CH 3 CH 3 --> CH 3 OH in water 1985- FEP for reactions in solution (QM + MM), ΔG hyd , ion-pairing, p K a s, log P , hydrophobic effects, etc. 1988-96 Molecular recognition/organic host-guest complexes 1989 Secondary electrostatic effects for G-C, A-T, etc. |
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