Search Results - "Oehme, P."

Differences in protein structural regions that impact functional specificity in GT2 family β-glucan synthases by Oehme, Daniel P, Shafee, Thomas, Downton, Matthew T, Bacic, Antony, Doblin, Monika S

“…Most cell wall and secreted β-glucans are synthesised by the CAZy Glycosyltransferase 2 family (www.cazy.org), with different members catalysing the formation…”
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An evaluation of the structures of cellulose generated by the CHARMM force field: comparisons to in planta cellulose by Oehme, Daniel P., Yang, Hui, Kubicki, James D.

“…Molecular dynamics simulations of cellulose regularly sample a conformational space different to the crystal structures they were initiated from, with changes…”
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Effect of atomic charge, solvation, entropy, and ligand protonation state on MM-PB(GB)SA binding energies of HIV protease by Oehme, Daniel P., Brownlee, Robert T. C., Wilson, David J. D.

“…The molecular mechanics‐Poisson‐Boltzmann surface area (MM‐PBSA) and MM‐generalized‐Born surface area (MM‐GBSA) approaches are commonly used in molecular…”
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Unique Aspects of the Structure and Dynamics of Elementary IβCellulose Microfibrils Revealed by Computational Simulations by Oehme, Daniel P., Downton, Matthew T., Doblin, Monika S., Wagner, John, Gidley, Michael J., Bacic, Antony

“…The question of how many chains an elementary cellulose microfibril contains is critical to understanding the molecular mechanism(s) of cellulose biosynthesis…”
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Hydrogen bonds and twist in cellulose microfibrils by Kannam, Sridhar Kumar, Oehme, Daniel P., Doblin, Monika S., Gidley, Michael J., Bacic, Antony, Downton, Matthew T.

“…•The role of intra chain hydrogen bonds on the twist of cellulose was studied.•Multiple methods are used to explore the role of particular hydrogen bonds.•No…”
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Gaining insight into cell wall cellulose macrofibril organisation by simulating microfibril adsorption by Oehme, Daniel P, Doblin, Monika S, Wagner, John, Bacic, Antony, Downton, Matthew T, Gidley, Michael J

“…One of the most important interactions within the paracrystalline matrix of the plant cell wall occurs between cellulose microfibrils to allow for the…”
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Binding of an RNA pol II Ligand to the WW Domain of Pin1 Using Molecular Dynamics Docking Simulations by Ng, Chai Ann, Oehme, Daniel P, Kato, Yusuke, Tanokura, Masaru, Brownlee, Robert T. C

“…A novel docking protocol using a long, all atom molecular dynamics (MD) simulation, in an explicit solvent medium, without using any distance constraints is…”
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Pharmacophore Identification and Structure–Activity Relationship Analysis of a Series of Substituted Azaindoles as Inhibitors of Trypanosoma brucei by Ferrins, Lori, Diaz, Rosario, Cordon-Obras, Carlos, Rojas-Barros, Domingo, Quotadamo, Antonio, Oehme, Daniel P., Ceballos-Pérez, Gloria, Swaminathan, Uma, Pérez-Moreno, Guiomar, Bosch-Navarrete, Cristina, García-Hernández, Raquel, Gomez-Liñan, Claudia, Saura, Andreu, Ruiz-Perez, Luis Miguel, Gamarro, Francisco, Martinez-Martinez, Maria Santos, Manzano, Pilar, González-Pacanowska, Dolores, Navarro, Miguel, Pollastri, Michael P.

“…Human African trypanosomiasis is among the World Health Organization’s designated neglected tropical diseases. Repurposing strategies are often employed in…”
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Correction to: An evaluation of the structures of cellulose generated by the CHARMM force field: comparisons to in planta cellulose by Oehme, Daniel P., Yang, Hui, Kubicki, James D.

“…In the original publication of the article, the authors have not properly acknowledged the funding sources in the acknowledgments. Hence, the updated…”
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Reduction of Plasma Catecholamines in Humans during Clinically Controlled Severe Underfeeding by Göhler, L., Hahnemann, T., Michael, N., Oehme, P., Steglich, H.-D., Conradi, E., Grune, T., Siems, W.G.

“…Background. Sympathetic hyperactivity is one factor for alterations encountered in the plurimetabolic syndrome, a cluster of metabolic abnormalities including…”
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Structure-activity relationships for some substance P-related peptides that cause wheal and flare reactions in human skin by Foreman, J C, Jordan, C C, Oehme, P, Renner, H

“…Substance P (6.25-25 p-mole) produced dose-dependent flare and wheal responses when injected intradermally into the volar surface of the human forearm. The…”
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Effect of chronic intermittent immobilization stress on Fos-like immunoreactivity in rat brain and adrenal medulla by Roske, I, Hughes, M E, Newson, P, Oehme, P, Chahl, L A

“…The present study examined the influence of short- and long-term chronic intermittent immobilization stress throughout the brain and on the adrenal medulla of…”
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Effect of Structural Stress on the Flexibility and Adaptability of HIV-1 Protease by Oehme, Daniel P., Wilson, David J. D., Brownlee, Robert T. C.

“…Resistance remains a major issue with regards to HIV-1 protease, despite the availability of numerous HIV-1 protease inhibitors and copious amounts of…”
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Can cyclic HIV protease inhibitors bind in a non-preferred form? An ab initio, DFT and MM-PB(GB)SA study by Oehme, Daniel P., Brownlee, Robert T. C., Wilson, David J. D.

“…X-ray crystallography studies have identified that most cyclic inhibitors of HIV protease (including cyclic ureas) bind in a symmetric manner, however some…”
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The effects of substance P on histamine and 5-hydroxytryptamine release in the rat by Fewtrell, C. M. S., Foreman, J. C., Jordan, C. C., Oehme, P., Renner, H., Stewart, J. M.

“…1. Substance P (SP) induces histamine release from isolated rat peritoneal mast cells at concentrations of 0·1-10 μM. 2. Inhibitors of glycolysis and…”
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Effect of the (3–4) fragment of substance P on brain ischemia in rats with different types of behavior by Sarkisova, K. Yu, Opiz, B., Oehme, P.

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Effect of substance P on neurological status and behavioral responses altered as a result of prolonged brain ischemia in rats with different types of behavior by Sarkisova, K. Yu, Kolomeitseva, I. A., Oehme, P.

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Relation of substance P to catecholamine metabolism and stress by Oehme, P

“…This paper gives a survey on selected topics of Substance P (SP) research. In particular, it presents results on the function of SP in sympathetic ganglia…”
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Endogenous opioid dependence--a basic pathophysiological phenomenon of stress-induced and genetically fixed disturbances in adaptation--influence of substance P by Roske, I, Nieber, K, Oehme, P

“…Disturbances in adaptive processes can be induced by chronic exposition to stress or can result from a genetical predisposition. Experimental data of…”
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Stress-induced dependence on endogenous opioid peptides--a fundamental process in the pathophysiology of a disturbed adaptation--its influence by substance P by Roske, I, Nieber, K, Oehme, P

“…Using previous findings of stress-induced disturbances in regulation of peripheral and central function within the general adaptation process and hints from…”
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