J
Jakob P. Ulmschneider
Researcher at Shanghai Jiao Tong University
Publications - 46
Citations - 1781
Jakob P. Ulmschneider is an academic researcher from Shanghai Jiao Tong University. The author has contributed to research in topics: Membrane & Lipid bilayer. The author has an hindex of 23, co-authored 42 publications receiving 1513 citations. Previous affiliations of Jakob P. Ulmschneider include Yale University & Oak Ridge National Laboratory.
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Journal ArticleDOI
Molecular dynamics of ion transport through the open conformation of a bacterial voltage-gated sodium channel
Martin B. Ulmschneider,Claire Bagnéris,Emily C. McCusker,Paul G. DeCaen,Paul G. DeCaen,Markus Delling,Markus Delling,David E. Clapham,David E. Clapham,Jakob P. Ulmschneider,Bonnie A. Wallace +10 more
TL;DR: These studies simulate sodium channel conductance based on an experimentally determined structure of a sodium channel pore that has a completely open transmembrane pathway and activation gate, and calculated single-channel conductance and selectivity ratio correspond closely with the electrophysiology measurements of the NavMs channel expressed in HEK 293 cells.
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United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field.
TL;DR: A new united-atom set of lipid force field parameters for dipalmitoylphosphatidylcholine (DPPC) lipid bilayers that can be combined with the all-atom optimized potentials for liquid simulations (OPLS-AA) protein force field is developed.
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Monte Carlo backbone sampling for polypeptides with variable bond angles and dihedral angles using concerted rotations and a Gaussian bias
TL;DR: In this paper, an efficient concerted rotation algorithm for use in Monte Carlo statistical mechanics simulations of polypeptides was reported that includes flexible bond and dihedral angles, and Jacobian weighting is required in the Metropolis test to correct for imbalances in resultant transition probabilities.
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Spontaneous transmembrane helix insertion thermodynamically mimics translocon-guided insertion.
Martin B. Ulmschneider,Jakob P. Ulmschneider,Nina Schiller,Bonnie A. Wallace,Gunnar von Heijne,Stephen H. White +5 more
TL;DR: The molecular dynamics simulations show that TM helix insertion involves equilibrium with the membrane interface, suggesting that the interface may play a role in translocon-guided insertion.
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In silico partitioning and transmembrane insertion of hydrophobic peptides under equilibrium conditions.
Jakob P. Ulmschneider,Jeremy C. Smith,Jeremy C. Smith,Stephen H. White,Martin B. Ulmschneider +4 more
TL;DR: It is found that the partitioning free energy of the polyleucine segments correlates strongly with values from translocon experiments but reveals a systematic shift favoring shorter peptides, suggesting that translocon- to-bilayer partitioning is not equivalent but related to spontaneous surface-to-bilayers partitioning.