Characterizing the function of domain linkers in regulating the dynamics of multi‐domain fusion proteins by microsecond molecular dynamics simulations and artificial intelligence

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.26066 ◽

2021 ◽

Author(s):

Bo Wang ◽

Zhaoqian Su ◽

Yinghao Wu

Keyword(s):

Artificial Intelligence ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Fusion Proteins ◽

Domain Fusion ◽

Dynamics Simulations

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Application of molecular dynamics simulations to design a dual-purpose oligopeptide linker sequence for fusion proteins

Journal of Molecular Modeling ◽

10.1007/s00894-018-3846-x ◽

2018 ◽

Vol 24 (11) ◽

Cited By ~ 4

Author(s):

Ehsan Rezaie ◽

Mozafar Mohammadi ◽

Amirhossein Sakhteman ◽

Peyman Bemani ◽

Sajjad Ahrari

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Fusion Proteins ◽

Dual Purpose ◽

Linker Sequence ◽

Dynamics Simulations

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Interpretable artificial intelligence and exascale molecular dynamics simulations to reveal kinetics: Applications to Alzheimer's disease

Current Opinion in Structural Biology ◽

10.1016/j.sbi.2021.09.001 ◽

2022 ◽

Vol 72 ◽

pp. 103-113

Author(s):

William Martin ◽

Gloria Sheynkman ◽

Felice C. Lightstone ◽

Ruth Nussinov ◽

Feixiong Cheng

Keyword(s):

Artificial Intelligence ◽

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Characterizing the function of domain linkers in regulating the dynamics of multi-specific biologics by microsecond molecular dynamics simulations and artificial intelligence

10.22541/au.160335019.94509364/v1 ◽

2020 ◽

Author(s):

Bo Wang ◽

Zhaoqian Su ◽

Yinghao Wu

Keyword(s):

Artificial Intelligence ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Structural analysis and molecular dynamics simulations of novel δ-endotoxin Cry1Id from Bacillus thuringiensis to pave the way for development of novel fusion proteins against insect pests of crops

Journal of Molecular Modeling ◽

10.1007/s00894-013-2010-x ◽

2013 ◽

Vol 19 (12) ◽

pp. 5301-5316 ◽

Cited By ~ 7

Author(s):

Budheswar Dehury ◽

Mousumi Sahu ◽

Jagajjit Sahu ◽

Kishore Sarma ◽

Priyabrata Sen ◽

...

Keyword(s):

Molecular Dynamics ◽

Structural Analysis ◽

Bacillus Thuringiensis ◽

Molecular Dynamics Simulations ◽

Fusion Proteins ◽

Insect Pests ◽

Dynamics Simulations ◽

The Way

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Cited By ~ 27

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Liquid Alkanes

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Molecular Dynamics Simulations of Retrograde Condensation in Nanoporous Shale

Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Cited By ~ 1

Author(s):

William R. Welch ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Retrograde Condensation ◽

Dynamics Simulations

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