COLLEGE OF MEDICINE AND HEALTH
Medicine, Nursing and Allied Health Professions

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Dr Martin Ulmschneider

Associate Professor (E&R)

 

Overview

Research

Publications

Key publications | Publications by category | Publications by year

Publications by category


Journal articles

Chen CH, Melo MC, Berglund N, Khan A, de la Fuente-Nunez C, Ulmschneider JP, Ulmschneider MB (2020). Understanding and modelling the interactions of peptides with membranes: from partitioning to self-assembly. Curr Opin Struct Biol, 61, 160-166. Abstract.  Author URL.
Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB (2019). An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, 9(1). Abstract.  Author URL.
Chen CH, Starr CG, Troendle E, Wiedman G, Wimley WC, Ulmschneider JP, Ulmschneider MB (2019). Simulation-Guided Rational de Novo Design of a Small Pore-Forming Antimicrobial Peptide. J Am Chem Soc, 141(12), 4839-4848. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB (2018). Molecular Dynamics Simulations Are Redefining Our View of Peptides Interacting with Biological Membranes. Acc Chem Res, 51(5), 1106-1116. Abstract.  Author URL.
Ulmschneider JP, Smith JC, White SH, Ulmschneider MB (2018). The importance of the membrane interface as the reference state for membrane protein stability. Biochim Biophys Acta Biomembr, 1860(12), 2539-2548. Abstract.  Author URL.
Chen CH, Khan A, Huang JJ-T, Ulmschneider MB (2016). Mechanisms of Membrane Pore Formation by Amyloidogenic Peptides in Amyotrophic Lateral Sclerosis. Chemistry, 22(29), 9958-9961. Abstract.  Author URL.
Koehler Leman J, Ulmschneider MB, Gray JJ (2015). Computational modeling of membrane proteins. Proteins, 83(1), 1-24. Abstract.  Author URL.
Kyrychenko A, Vasquez-Montes V, Ulmschneider MB, Ladokhin AS (2015). Lipid headgroups modulate membrane insertion of pHLIP peptide. Biophys J, 108(4), 791-794. Abstract.  Author URL.
Ulmschneider MB, Searson PC (2015). Mathematical models of the steps involved in the systemic delivery of a chemotherapeutic to a solid tumor: from circulation to survival. J Control Release, 212, 78-84. Abstract.  Author URL.
Chen CH, Wiedman G, Khan A, Ulmschneider MB (2014). Absorption and folding of melittin onto lipid bilayer membranes via unbiased atomic detail microsecond molecular dynamics simulation. Biochim Biophys Acta, 1838(9), 2243-2249. Abstract.  Author URL.
McNulty R, Ulmschneider JP, Luecke H, Ulmschneider MB (2013). Mechanisms of molecular transport through the urea channel of Helicobacter pylori. Nat Commun, 4 Abstract.  Author URL.
Ulmschneider MB, Bagnéris C, McCusker EC, Decaen PG, Delling M, Clapham DE, Ulmschneider JP, Wallace BA (2013). Molecular dynamics of ion transport through the open conformation of a bacterial voltage-gated sodium channel. Proc Natl Acad Sci U S A, 110(16), 6364-6369. Abstract.  Author URL.
Heyden M, Freites JA, Ulmschneider MB, White SH, Tobias DJ (2012). Assembly and Stability of α-Helical Membrane Proteins. Soft Matter, 8(30), 7742-7752. Abstract.  Author URL.
Ulmschneider JP, Smith JC, White SH, Ulmschneider MB (2011). In silico partitioning and transmembrane insertion of hydrophobic peptides under equilibrium conditions. J Am Chem Soc, 133(39), 15487-15495. Abstract.  Author URL.
Ulmschneider MB, Doux JPF, Killian JA, Smith JC, Ulmschneider JP (2010). Mechanism and kinetics of peptide partitioning into membranes from all-atom simulations of thermostable peptides. J Am Chem Soc, 132(10), 3452-3460. Abstract.  Author URL.
Wee CL, Ulmschneider MB, Sansom MSP (2010). Membrane/Toxin Interaction Energetics via Serial Multiscale Molecular Dynamics Simulations. J Chem Theory Comput, 6(3), 966-976. Abstract.  Author URL.
Ulmschneider MB, Smith JC, Ulmschneider JP (2010). Peptide partitioning properties from direct insertion studies. Biophys J, 98(12), L60-L62. Abstract.  Author URL.
Ulmschneider JP, Doux JPF, Killian JA, Smith JC, Ulmschneider MB (2009). Peptide Partitioning and Folding into Lipid Bilayers. J Chem Theory Comput, 5(9), 2202-2205. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB (2009). Sampling efficiency in explicit and implicit membrane environments studied by peptide folding simulations. Proteins, 75(3), 586-597. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB (2009). United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field. J Chem Theory Comput, 5(7), 1803-1813. Abstract.  Author URL.
Ulmschneider MB, Ulmschneider JP (2008). Folding Peptides into Lipid Bilayer Membranes. J Chem Theory Comput, 4(11), 1807-1809. Abstract.  Author URL.
Ulmschneider MB, Ulmschneider JP (2008). Membrane adsorption, folding, insertion and translocation of synthetic trans-membrane peptides. Mol Membr Biol, 25(3), 245-257. Abstract.  Author URL.
Ulmschneider MB, Ulmschneider JP, Sansom MSP, Di Nola A (2007). A generalized born implicit-membrane representation compared to experimental insertion free energies. Biophys J, 92(7), 2338-2349. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB (2007). Folding Simulations of the Transmembrane Helix of Virus Protein U in an Implicit Membrane Model. J Chem Theory Comput, 3(6), 2335-2346. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB, Di Nola A (2007). Monte Carlo folding of trans-membrane helical peptides in an implicit generalized Born membrane. Proteins, 69(2), 297-308. Abstract.  Author URL.
Ulmschneider MB, Sansom MSP, Di Nola A (2006). Evaluating tilt angles of membrane-associated helices: comparison of computational and NMR techniques. Biophys J, 90(5), 1650-1660. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB, Di Nola A (2006). Monte Carlo vs molecular dynamics for all-atom polypeptide folding simulations. J Phys Chem B, 110(33), 16733-16742. Abstract.  Author URL.
Ulmschneider MB, Sansom MSP, Di Nola A (2005). Properties of integral membrane protein structures: derivation of an implicit membrane potential. Proteins, 59(2), 252-265. Abstract.  Author URL.
Ulmschneider MB, Tieleman DP, Sansom MSP (2005). The role of extra-membranous inter-helical loops in helix-helix interactions. Protein Eng Des Sel, 18(12), 563-570. Abstract.  Author URL.
Ulmschneider MB, Tieleman DP, Sansom MSP (2004). Interactions of a transmembrane helix and a membrane: Comparative simulations of bacteriorhodopsin helix A. JOURNAL OF PHYSICAL CHEMISTRY B, 108(28), 10149-10159. Author URL.
Ulmschneider MB, Sansom MS (2001). Amino acid distributions in integral membrane protein structures. Biochim Biophys Acta, 1512(1), 1-14. Abstract.  Author URL.

Conferences

Troendle EP, Khan A, Searson PC, Ulmschneider MB (2018). Predicting Drug Delivery Efficiency into Tumor Tissues through Molecular Simulation of Transport in Complex Vascular Networks.  Author URL.

Publications by year


2020

Chen CH, Melo MC, Berglund N, Khan A, de la Fuente-Nunez C, Ulmschneider JP, Ulmschneider MB (2020). Understanding and modelling the interactions of peptides with membranes: from partitioning to self-assembly. Curr Opin Struct Biol, 61, 160-166. Abstract.  Author URL.

2019

Wang Y, Gallagher E, Jorgensen C, Troendle EP, Hu D, Searson PC, Ulmschneider MB (2019). An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules. Sci Rep, 9(1). Abstract.  Author URL.
Chen CH, Starr CG, Troendle E, Wiedman G, Wimley WC, Ulmschneider JP, Ulmschneider MB (2019). Simulation-Guided Rational de Novo Design of a Small Pore-Forming Antimicrobial Peptide. J Am Chem Soc, 141(12), 4839-4848. Abstract.  Author URL.

2018

Ulmschneider JP, Ulmschneider MB (2018). Molecular Dynamics Simulations Are Redefining Our View of Peptides Interacting with Biological Membranes. Acc Chem Res, 51(5), 1106-1116. Abstract.  Author URL.
Troendle EP, Khan A, Searson PC, Ulmschneider MB (2018). Predicting Drug Delivery Efficiency into Tumor Tissues through Molecular Simulation of Transport in Complex Vascular Networks.  Author URL.
Ulmschneider JP, Smith JC, White SH, Ulmschneider MB (2018). The importance of the membrane interface as the reference state for membrane protein stability. Biochim Biophys Acta Biomembr, 1860(12), 2539-2548. Abstract.  Author URL.

2016

Chen CH, Khan A, Huang JJ-T, Ulmschneider MB (2016). Mechanisms of Membrane Pore Formation by Amyloidogenic Peptides in Amyotrophic Lateral Sclerosis. Chemistry, 22(29), 9958-9961. Abstract.  Author URL.

2015

Koehler Leman J, Ulmschneider MB, Gray JJ (2015). Computational modeling of membrane proteins. Proteins, 83(1), 1-24. Abstract.  Author URL.
Kyrychenko A, Vasquez-Montes V, Ulmschneider MB, Ladokhin AS (2015). Lipid headgroups modulate membrane insertion of pHLIP peptide. Biophys J, 108(4), 791-794. Abstract.  Author URL.
Ulmschneider MB, Searson PC (2015). Mathematical models of the steps involved in the systemic delivery of a chemotherapeutic to a solid tumor: from circulation to survival. J Control Release, 212, 78-84. Abstract.  Author URL.

2014

Chen CH, Wiedman G, Khan A, Ulmschneider MB (2014). Absorption and folding of melittin onto lipid bilayer membranes via unbiased atomic detail microsecond molecular dynamics simulation. Biochim Biophys Acta, 1838(9), 2243-2249. Abstract.  Author URL.

2013

McNulty R, Ulmschneider JP, Luecke H, Ulmschneider MB (2013). Mechanisms of molecular transport through the urea channel of Helicobacter pylori. Nat Commun, 4 Abstract.  Author URL.
Ulmschneider MB, Bagnéris C, McCusker EC, Decaen PG, Delling M, Clapham DE, Ulmschneider JP, Wallace BA (2013). Molecular dynamics of ion transport through the open conformation of a bacterial voltage-gated sodium channel. Proc Natl Acad Sci U S A, 110(16), 6364-6369. Abstract.  Author URL.

2012

Heyden M, Freites JA, Ulmschneider MB, White SH, Tobias DJ (2012). Assembly and Stability of α-Helical Membrane Proteins. Soft Matter, 8(30), 7742-7752. Abstract.  Author URL.

2011

Ulmschneider JP, Smith JC, White SH, Ulmschneider MB (2011). In silico partitioning and transmembrane insertion of hydrophobic peptides under equilibrium conditions. J Am Chem Soc, 133(39), 15487-15495. Abstract.  Author URL.

2010

Ulmschneider MB, Doux JPF, Killian JA, Smith JC, Ulmschneider JP (2010). Mechanism and kinetics of peptide partitioning into membranes from all-atom simulations of thermostable peptides. J Am Chem Soc, 132(10), 3452-3460. Abstract.  Author URL.
Wee CL, Ulmschneider MB, Sansom MSP (2010). Membrane/Toxin Interaction Energetics via Serial Multiscale Molecular Dynamics Simulations. J Chem Theory Comput, 6(3), 966-976. Abstract.  Author URL.
Ulmschneider MB, Smith JC, Ulmschneider JP (2010). Peptide partitioning properties from direct insertion studies. Biophys J, 98(12), L60-L62. Abstract.  Author URL.

2009

Ulmschneider JP, Doux JPF, Killian JA, Smith JC, Ulmschneider MB (2009). Peptide Partitioning and Folding into Lipid Bilayers. J Chem Theory Comput, 5(9), 2202-2205. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB (2009). Sampling efficiency in explicit and implicit membrane environments studied by peptide folding simulations. Proteins, 75(3), 586-597. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB (2009). United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field. J Chem Theory Comput, 5(7), 1803-1813. Abstract.  Author URL.

2008

Ulmschneider MB, Ulmschneider JP (2008). Folding Peptides into Lipid Bilayer Membranes. J Chem Theory Comput, 4(11), 1807-1809. Abstract.  Author URL.
Ulmschneider MB, Ulmschneider JP (2008). Membrane adsorption, folding, insertion and translocation of synthetic trans-membrane peptides. Mol Membr Biol, 25(3), 245-257. Abstract.  Author URL.

2007

Ulmschneider MB, Ulmschneider JP, Sansom MSP, Di Nola A (2007). A generalized born implicit-membrane representation compared to experimental insertion free energies. Biophys J, 92(7), 2338-2349. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB (2007). Folding Simulations of the Transmembrane Helix of Virus Protein U in an Implicit Membrane Model. J Chem Theory Comput, 3(6), 2335-2346. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB, Di Nola A (2007). Monte Carlo folding of trans-membrane helical peptides in an implicit generalized Born membrane. Proteins, 69(2), 297-308. Abstract.  Author URL.

2006

Ulmschneider MB, Sansom MSP, Di Nola A (2006). Evaluating tilt angles of membrane-associated helices: comparison of computational and NMR techniques. Biophys J, 90(5), 1650-1660. Abstract.  Author URL.
Ulmschneider JP, Ulmschneider MB, Di Nola A (2006). Monte Carlo vs molecular dynamics for all-atom polypeptide folding simulations. J Phys Chem B, 110(33), 16733-16742. Abstract.  Author URL.

2005

Ulmschneider MB, Sansom MSP, Di Nola A (2005). Properties of integral membrane protein structures: derivation of an implicit membrane potential. Proteins, 59(2), 252-265. Abstract.  Author URL.
Ulmschneider MB, Tieleman DP, Sansom MSP (2005). The role of extra-membranous inter-helical loops in helix-helix interactions. Protein Eng Des Sel, 18(12), 563-570. Abstract.  Author URL.

2004

Ulmschneider MB, Tieleman DP, Sansom MSP (2004). Interactions of a transmembrane helix and a membrane: Comparative simulations of bacteriorhodopsin helix A. JOURNAL OF PHYSICAL CHEMISTRY B, 108(28), 10149-10159. Author URL.

2001

Ulmschneider MB, Sansom MS (2001). Amino acid distributions in integral membrane protein structures. Biochim Biophys Acta, 1512(1), 1-14. Abstract.  Author URL.

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