Marc Siggel
Max Planck Society
Globular proteinBiophysicsVesicleProtein domainKineticsEndoplasmic reticulumEndoplasmic-reticulum-associated protein degradationChemistryPhospholipid scramblaseBilayerBuddingRotational diffusionReticulonDrug deliveryReticulophagyMembrane regionProtein degradationLipid bilayerMembraneMolecular dynamics
7Publications
3H-index
76Citations
Publications 7
Newest
#1Nga T. Ho (UCM: University of California, Merced)
#2Marc Siggel (MPG: Max Planck Society)H-Index: 3
Last. Aleksandr Noy (UCM: University of California, Merced)H-Index: 51
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Drug delivery mitigates toxic side effects and poor pharmacokinetics of life-saving therapeutics and enhances treatment efficacy. However, direct cytoplasmic delivery of drugs and vaccines into cells has remained out of reach. We find that liposomes studded with 0.8-nm-wide carbon nanotube porins (CNTPs) function as efficient vehicles for direct cytoplasmic drug delivery by facilitating fusion of lipid membranes and complete mixing of the membrane material and vesicle interior content. Fusion ki...
Source
#1Marc Siggel (MPG: Max Planck Society)H-Index: 3
#2Ramachandra M. Bhaskara (Goethe University Frankfurt)H-Index: 11
Last. Gerhard Hummer (Goethe University Frankfurt)H-Index: 101
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Living cells constantly remodel the shape of their lipid membranes. In the endoplasmic reticulum (ER), the reticulon homology domain (RHD) of the reticulophagy regulator 1 (RETR1/FAM134B) forms dense autophagic puncta that are associated with membrane removal by ER-phagy. In molecular dynamics (MD) simulations, we find that FAM134B-RHD spontaneously forms clusters, driven in part by curvature-mediated attractions. At a critical size, as in a nucleation process, the FAM134B-RHD clusters induce th...
2 CitationsSource
#1Marc Siggel (MPG: Max Planck Society)H-Index: 3
#2Ramachandra M. Bhaskara (Goethe University Frankfurt)H-Index: 11
Last. Gerhard Hummer (MPG: Max Planck Society)H-Index: 101
view all 5 authors...
Living cells constantly remodel the shape of their lipid membranes. In the endoplasmic reticulum (ER), the reticulon homology domain (RHD) of the reticulophagy regulator 1 (RETR1/FAM134B) forms dense autophagic puncta that are associated with membrane removal by ER-phagy. In molecular dynamics (MD) simulations, we find that FAM134B-RHD spontaneously forms clusters, driven in part by curvature-mediated attraction. At a critical size, the FAM134B-RHD clusters induce the formation of membrane buds....
Source
#1Michael GechtH-Index: 5
#2Marc SiggelH-Index: 3
Last. Jürgen Köfinger (MPG: Max Planck Society)H-Index: 17
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Despite the impending flattening of Moore’s law, the system size, complexity, and length of molecular dynamics (MD) simulations keep on increasing, thanks to effective code parallelization and optimization combined with algorithmic developments. Going forward, exascale computing poses new challenges to the efficient execution and management of MD simulations. The diversity and rapid developments of hardware architectures, software environments, and MD engines make it necessary that users can eas...
2 CitationsSource
#1Xudong Wu (HHMI: Howard Hughes Medical Institute)H-Index: 12
#2Marc Siggel (MPG: Max Planck Society)H-Index: 3
Last. Tom A. Rapoport (HHMI: Howard Hughes Medical Institute)H-Index: 123
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INTRODUCTION Protein homeostasis in the endoplasmic reticulum (ER) is maintained by a quality control system. When a newly synthesized ER protein misfolds, it is ultimately retrotranslocated into the cytosol, polyubiquitinated, and degraded by the proteasome, a pathway referred to as ER-associated protein degradation (ERAD). ERAD alleviates cytotoxic stress imposed by protein misfolding and is implicated in numerous diseases. ERAD is found in all eukaryotic cells but is best studied for the ERAD...
29 CitationsSource
#1Marc Siggel (MPG: Max Planck Society)H-Index: 3
#2Ramachandra M. Bhaskara (MPG: Max Planck Society)H-Index: 11
Last. Gerhard Hummer (Goethe University Frankfurt)H-Index: 101
view all 3 authors...
The cell membrane and many organellar membranes are asymmetric and highly curved. In experiments, it is challenging to reconstitute and characterize membranes that differ in the lipid composition of their leaflets. Here we use molecular dynamics simulations to study the large-scale membrane shape changes associated with lipid shuttling between asymmetric leaflets. We exploit leaflet asymmetry to create a stable, near-spherical vesicle bud connected to a flat bilayer under periodic boundary condi...
6 CitationsSource
#1Sören von Bülow (MPG: Max Planck Society)H-Index: 8
#2Marc Siggel (MPG: Max Planck Society)H-Index: 3
Last. Gerhard Hummer (Goethe University Frankfurt)H-Index: 101
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We develop a detailed description of protein translational and rotational diffusion in concentrated solution on the basis of all-atom molecular dynamics simulations in explicit solvent. Our systems contain up to 540 fully flexible proteins with 3.6 million atoms. In concentrated protein solutions (100 mg/mL and higher), the proteins ubiquitin and lysozyme, as well as the protein domains third IgG-binding domain of protein G and villin headpiece, diffuse not as isolated particles, but as members ...
34 CitationsSource