Search Results - "Smith, Micholas Dean"

The dynamics of single protein molecules is non-equilibrium and self-similar over thirteen decades in time by Hu, Xiaohu, Hong, Liang, Dean Smith, Micholas, Neusius, Thomas, Cheng, Xiaolin, Smith, Jeremy C.

“…Molecular dynamics simulations reveal the non-equilibrium nature of protein dynamics. Together with spectroscopy data, evidence for self-similar, fractal time…”
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Macroscale properties and atomic-scale mechanisms of ash removal in low-temperature hydrothermal carbonization by Yu, Yan, Wan, Zhangmin, Dean Smith, Micholas, Mohan, Mood, Sokhansanj, Shahabaddine, Lau, Anthony, Smith, Jeremy C., Rojas, Orlando J.

“…•Hydrothermal treatment (HT) removes at least 50% of sulfur, chlorine, potassium, and calcium.•HT reduces the binding free energy of association with both…”
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3D printed lignin/polymer composite with enhanced mechanical and anti-thermal-aging performance by Zhang, Shuyang, Meng, Xianzhi, Bhagia, Samarthya, Ji, Anqi, Dean Smith, Micholas, Wang, Yun-yan, Liu, Bo, Yoo, Chang Geun, Harper, David P., Ragauskas, Arthur J.

“…•Targeted phenolic hydroxyl is enriched on organosolv lignin by a mild modification.•Enhanced interfacial adhesion between the modified lignin and polymer was…”
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Structural bases for Na+-Cl− cotransporter inhibition by thiazide diuretic drugs and activation by kinases by Zhao, Yongxiang, Schubert, Heidi, Blakely, Alan, Forbush, Biff, Smith, Micholas Dean, Rinehart, Jesse, Cao, Erhu

“…The Na + -Cl − cotransporter (NCC) drives salt reabsorption in the kidney and plays a decisive role in balancing electrolytes and blood pressure. Thiazide and…”
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Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease by Pavlova, Anna, Lynch, Diane L, Daidone, Isabella, Zanetti-Polzi, Laura, Smith, Micholas Dean, Chipot, Chris, Kneller, Daniel W, Kovalevsky, Andrey, Coates, Leighton, Golosov, Andrei A, Dickson, Callum J, Velez-Vega, Camilo, Duca, José S, Vermaas, Josh V, Pang, Yui Tik, Acharya, Atanu, Parks, Jerry M, Smith, Jeremy C, Gumbart, James C

“…The main protease (M pro ) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is an attractive target for antiviral therapeutics. Recently, many…”
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Lipid Rafts: Buffers of Cell Membrane Physical Properties by Nickels, Jonathan D, Smith, Micholas Dean, Alsop, Richard J, Himbert, Sebastian, Yahya, Ahmad, Cordner, Destini, Zolnierczuk, Piotr, Stanley, Christopher B, Katsaras, John, Cheng, Xiaolin, Rheinstädter, Maikel C

“…Lateral organization of lipids in the cell membrane appears to be an ancient feature of the cell, given the existence of lipid rafts in both eukaryotic and…”
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Reply to: Insufficient evidence for ageing in protein dynamics by Li, Jun, Hu, Xiaohu, Neusius, Thomas, Cheng, Xiaolin, Smith, Micholas Dean, Godec, Aljaž, Hong, Liang, Metzler, Ralf, Smith, Jeremy C.

“…Reference 1 states that we claimed that internal motions in single protein molecules exhibit ageing over 13 decades of time. In contrast, our primary…”
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Genetic interactions between polycystin-1 and Wwtr1 in osteoblasts define a novel mechanosensing mechanism regulating bone formation in mice by Xiao, Zhousheng, Cao, Li, Smith, Micholas Dean, Li, Hanxuan, Li, Wei, Smith, Jeremy C, Quarles, Leigh Darryl

“…Molecular mechanisms transducing physical forces in the bone microenvironment to regulate bone mass are poorly understood. Here, we used mouse genetics,…”
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SARS-CoV2 billion-compound docking by Rogers, David M., Agarwal, Rupesh, Vermaas, Josh V., Smith, Micholas Dean, Rajeshwar, Rajitha T., Cooper, Connor, Sedova, Ada, Boehm, Swen, Baker, Matthew, Glaser, Jens, Smith, Jeremy C.

“…This dataset contains ligand conformations and docking scores for 1.4 billion molecules docked against 6 structural targets from SARS-CoV2, representing 5…”
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Osteocalcin binds to a GPRC6A Venus fly trap allosteric site to positively modulate GPRC6A signaling by Agarwal, Rupesh, Ye, Ruisong, Smith, Micholas Dean, Smith, Jeremy C., Quarles, L. Darryl, Pi, Min

“…GPRC6A, a member of the Family C G‐protein coupled receptors, regulates energy metabolism and sex hormone production and is activated by diverse ligands,…”
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Ambient-densified and polymer-free transparent wood film for smart food packaging window by Zhang, Kailong, Sutton, Isaac, Smith, Micholas Dean, Harper, David P., Wang, Siqun, Wu, Tao, Li, Mi

“…Wood, with its inherent hierarchical structure, presents opportunities for creating eco-friendly and cost-effective alternatives to petroleum-based plastics…”
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Rotaxanes with a photoresponsive macrocycle modulate the lipid bilayers of large and giant unilamellar vesicles by Conthagamage, Udyogi N. K., Rajeshwar T, Rajitha, van der Ham, Stijn, Akhtar, Nasim, Davis, Macallister L., Jayawardana, Senuri G., Lopez, Lilia, Vutukuri, Hanumantha Rao, Smith, Jeremy C., Smith, Micholas Dean, García-López, Víctor

“…Rotaxanes equipped with actuators hold great potential for developing highly functional molecular machines. Such systems could significantly enhance our…”
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Dissecting Phenotype from Genotype with Clinical Isolates of SARS-CoV-2 First Wave Variants by Taylor, Mariah K, Williams, Evan P, Xue, Yi, Jenjaroenpun, Piroon, Wongsurawat, Thidathip, Smith, Amanda P, Smith, Amber M, Parvathareddy, Jyothi, Kong, Ying, Vogel, Peter, Cao, Xueyuan, Reichard, Walter, Spruill-Harrell, Briana, Samarasinghe, Amali E, Nookaew, Intawat, Fitzpatrick, Elizabeth A, Smith, Micholas Dean, Aranha, Michelle, Smith, Jeremy C, Jonsson, Colleen B

“…The emergence and availability of closely related clinical isolates of SARS-CoV-2 offers a unique opportunity to identify novel nonsynonymous mutations that…”
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Effects of sodium and calcium chloride ionic stresses on model yeast membranes revealed by molecular dynamics simulation by Smith, Micholas Dean, Smith, Jeremy C.

“…As efforts to move a renewable economy grow, it will be necessary to make use of microbial conversion strategies for the production of novel materials or the…”
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Effect of ionic aqueous environments on the structure and dynamics of the Aβ(21-30) fragment: a molecular-dynamics study by Smith, Micholas Dean, Cruz, Luis

“…The amyloid β-protein (Aβ) has been implicated in the pathogenesis of Alzheimer's disease. The role of the structure and dynamics of the central Aβ21-30…”
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Effects of sodium and calcium chloride ionic stresses on model yeast membranes revealed by molecular dynamics simulation by Smith, Micholas Dean, Smith, Jeremy C.

“…•NaCl and CaCl2 stresses weakly modulate yeast plasma membrane morphology.•Both salts impact membrane dynamics.•CaCl2 is found to have a more substantial…”
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Changes to the structure and dynamics in mutations of Aβ(21-30) caused by ions in solution by Smith, Micholas Dean, Cruz, Luis

“…The structure and dynamics of the 21-30 fragment of the amyloid β-protein (Aβ(21-30)) and its Dutch [Glu22Gln], Arctic [Glu22Gly], and Iowa [Asp23Asn] isoforms…”
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Effect of Ionic Aqueous Environments on the Structure and Dynamics of the Aβ21–30 Fragment: A Molecular-Dynamics Study by Smith, Micholas Dean, Cruz, Luis

“…The amyloid β-protein (Aβ) has been implicated in the pathogenesis of Alzheimer’s disease. The role of the structure and dynamics of the central Aβ21–30…”
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Force-Field Induced Bias in the Structure of Aβ21–30: A Comparison of OPLS, AMBER, CHARMM, and GROMOS Force Fields by Smith, Micholas Dean, Rao, J. Srinivasa, Segelken, Elizabeth, Cruz, Luis

“…In this work we examine the dynamics of an intrinsically disordered protein fragment of the amyloid β, the Aβ21–30, under seven commonly used molecular…”
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Drugging the entire human proteome: Are we there yet? by Smith, Micholas Dean, Darryl Quarles, L., Demerdash, Omar, Smith, Jeremy C.

“…•On the feasibility of human-proteome VHTS.•Highlights of pitfalls and outlook. Each of the ∼20,000 proteins in the human proteome is a potential target for…”
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