Monte Carlo simulation studies of the solvation of ions. 2. Glycine zwitterion

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

Natural Sciences, Chemistry, Physics +17

Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water

William L. Jorgensen · Journal of the American Chemical Society · 1981 · 1.3K citations

Natural Sciences, Chemistry, Physics +11

Monte Carlo simulations of the hydration of ammonium and carboxylate ions

William L. Jorgensen, Jiali Gao · The Journal of Physical Chemistry · 1986 · 310 citations

Natural Sciences, Biophysics, Chemistry +13

Conformational energy of glycine in aqueous solutions and relative stability of the zwitterionic and neutral forms. An ab initio study

Rosanna Bonaccorsi, P. Palla, J. Tomasi · Journal of the American Chemical Society · 1984 · 223 citations

Natural Sciences, Biochemistry, Chemistry +11

Ab initio studies of the relative energetics of glycine and its zwitterion

Y.‐C. TSE, Marshall D. Newton, Saraswathi Vishveshwara et al. · Journal of the American Chemical Society · 1978 · 72 citations

Natural Sciences, Biochemistry, Chemistry +7