Computational alchemy

T. P. Straatsma; J. A. McCammon

doi:10.1146/annurev.pc.43.100192.002203

Computational alchemy

Research output: Contribution to journal › Article › peer-review

454 Scopus citations

Original language	English
Pages (from-to)	407-435
Number of pages	29
Journal	Annual Review of Physical Chemistry
Volume	43
Issue number	1
DOIs	https://doi.org/10.1146/annurev.pc.43.100192.002203
State	Published - 1992
Externally published	Yes

Keywords

Free energy
Molecular dynamics simulation
Monte Carlo simulation
Thermodynamic integration
Thermodynamic perturbation

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10.1146/annurev.pc.43.100192.002203

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@article{36b4d0eaa21a459a888eb8c3787af6d0,

title = "Computational alchemy",

keywords = "Free energy, Molecular dynamics simulation, Monte Carlo simulation, Thermodynamic integration, Thermodynamic perturbation",

author = "Straatsma, \{T. P.\} and McCammon, \{J. A.\}",

year = "1992",

doi = "10.1146/annurev.pc.43.100192.002203",

language = "English",

volume = "43",

pages = "407--435",

journal = "Annual Review of Physical Chemistry",

issn = "0066-426X",

publisher = "Annual Reviews",

number = "1",

}

TY - JOUR

T1 - Computational alchemy

AU - Straatsma, T. P.

AU - McCammon, J. A.

PY - 1992

Y1 - 1992

KW - Free energy

KW - Molecular dynamics simulation

KW - Monte Carlo simulation

KW - Thermodynamic integration

KW - Thermodynamic perturbation

UR - https://www.scopus.com/pages/publications/0010234315

U2 - 10.1146/annurev.pc.43.100192.002203

DO - 10.1146/annurev.pc.43.100192.002203

M3 - Article

AN - SCOPUS:0010234315

SN - 0066-426X

VL - 43

SP - 407

EP - 435

JO - Annual Review of Physical Chemistry

JF - Annual Review of Physical Chemistry

IS - 1

ER -

Computational alchemy

Keywords

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