Free energy predictions of ligand binding to an α-helix using steered molecular dynamics and umbrella sampling simulations

scientific article published on 17 July 2014

Free energy predictions of ligand binding to an α-helix using steered molecular dynamics and umbrella sampling simulations is …
instance of (P31):
scholarly articleQ13442814

External links are
P8978DBLP publication IDjournals/jcisd/MarzinekBLZHNPM14
P356DOI10.1021/CI500164Q
P698PubMed publication ID25003283

P50authorPeter J BondQ59540068
Jan K MarzinekQ60611735
Yanyan ZhaoQ64667898
Athanasios MantalarisQ87365241
P2093author name stringEfstratios N Pistikopoulos
Lujia Han
Massimo G Noro
Guoping Lian
P433issue7
P304page(s)2093-2104
P577publication date2014-07-17
P1433published inJournal of Chemical Information and ModelingQ3007982
P1476titleFree energy predictions of ligand binding to an α-helix using steered molecular dynamics and umbrella sampling simulations
P478volume54

Reverse relations

Q39556441Molecular dynamics simulations of acylpeptide hydrolase bound to chlorpyrifosmethyl oxon and dichlorvoscites workP2860

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