Concepedia

The conformational free-energy map for solvated neocarrabiose

Kazuyoshi Ueda, Tatsuro Ueda, Taiken Sato, Haruo Nakayama, John W. Brady

Carbohydrate Research · 2004 · 18 citations · 24 references

DOI

Concepts

References

24

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

, , +17

Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling

G. M. Torrie, J. P. Valleau · Journal of Computational Physics · 1977 · 6.2K citations

, , +12

<i>Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics</i>

Charles L. Brooks, Martin Karplus, B. Montgomery Pettitt et al. · Physics Today · 1990 · 749 citations

, , +17

Solvent-Induced Forces between Two Hydrophilic Groups

Stewart R. Durell, Bernard R. Brooks, Arieh Ben‐Naim · The Journal of Physical Chemistry · 1994 · 614 citations

, , +14

Adaptive umbrella sampling: Self-consistent determination of the non-Boltzmann bias

Mihaly Mezei · Journal of Computational Physics · 1987 · 299 citations

, , +13