Description: Studies of organic reactions in solution and in enzymes using Monte Carlo and semiempirical QM/MM simulations. (Yale University)
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, william l jorgensen
Science Chemistry Computational Research Groups 网站
2024年12月22日