Steered molecular dynamics

DOI10.1007/978-3-642-58360-5_2MaRDI QIDQ2712843zbMATH OpenFDO

Authors Sergei Izrailev, Sergey Stepaniants, Barry Isralewitz, Dorina Kosztin, Hui Lu, Ferenc Molnar, Willy Wriggers, Klaus Schulten

Publication date 6 May 2001

Published in Lecture Notes in Computational Science and Engineering (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-642-58360-5_2

zbMATH Keywords

adivin-biotin complexbinding of retinal to bacterio-opsinnuclear hormone receptorspotential of mean forceunfolding of titin

Mathematics Subject Classification ID

Biophysics (92C05) Biochemistry, molecular biology (92C40)

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Cited in

(4)

• Algorithmic challenges in computational molecular biophysics
• Ribosome Builder: a software project to simulate the ribosome
• Recent applications of boxed molecular dynamics: a simple multiscale technique for atomistic simulations
• Consistency verification in transaction-based optimistic steering of distributed computations

Describes a project that uses

Uses Software

• NAMD

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