Understanding and improving free energy calculations in molecular simulations: Error analysis and reduction methods

Nandou Lu; Thomas B. Woolf

doi:10.1007/978-3-540-38448-9_6

Understanding and improving free energy calculations in molecular simulations: Error analysis and reduction methods

Nandou Lu, Thomas B. Woolf

School of Medicine

Research output: Chapter in Book/Report/Conference proceeding › Chapter

12 Scopus citations

Original language	English (US)
Title of host publication	Free Energy Calculations
Subtitle of host publication	Theory and Applications in Chemistry and Biology
Publisher	Springer New York
Pages	199-247
Number of pages	49
ISBN (Print)	9783540736172
DOIs	https://doi.org/10.1007/978-3-540-38448-9_6
State	Published - Jan 1 2007

Publication series

Name	Springer Series in Chemical Physics
Volume	86
ISSN (Print)	0172-6218

ASJC Scopus subject areas

Physical and Theoretical Chemistry

Access to Document

10.1007/978-3-540-38448-9_6

Cite this

Understanding and improving free energy calculations in molecular simulations: Error analysis and reduction methods. / Lu, Nandou; Woolf, Thomas B.
Free Energy Calculations: Theory and Applications in Chemistry and Biology. Springer New York, 2007. p. 199-247 (Springer Series in Chemical Physics; Vol. 86).

Research output: Chapter in Book/Report/Conference proceeding › Chapter

@inbook{4f3eab6460a14e0e8b491f9b035155b3,

title = "Understanding and improving free energy calculations in molecular simulations: Error analysis and reduction methods",

author = "Nandou Lu and Woolf, {Thomas B.}",

year = "2007",

month = jan,

day = "1",

doi = "10.1007/978-3-540-38448-9_6",

language = "English (US)",

isbn = "9783540736172",

series = "Springer Series in Chemical Physics",

publisher = "Springer New York",

pages = "199--247",

booktitle = "Free Energy Calculations",

}

TY - CHAP

T1 - Understanding and improving free energy calculations in molecular simulations

T2 - Error analysis and reduction methods

AU - Lu, Nandou

AU - Woolf, Thomas B.

PY - 2007/1/1

Y1 - 2007/1/1

UR - http://www.scopus.com/inward/record.url?scp=62849103081&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=62849103081&partnerID=8YFLogxK

U2 - 10.1007/978-3-540-38448-9_6

DO - 10.1007/978-3-540-38448-9_6

M3 - Chapter

AN - SCOPUS:62849103081

SN - 9783540736172

T3 - Springer Series in Chemical Physics

SP - 199

EP - 247

BT - Free Energy Calculations

PB - Springer New York

ER -

Understanding and improving free energy calculations in molecular simulations: Error analysis and reduction methods

Publication series

ASJC Scopus subject areas

Access to Document

Other files and links

Cite this