Results 1 to 10 of about 2,036,207 (293)

Mechanistic insight into the dynamics of Mur ligase through a comprehensive timescale-specific approach

Communications Chemistry
Muramyl ligases are multidomain enzymes involved in intracellular steps of bacterial peptidoglycan synthesis and are considered promising targets for the development of new antibacterial agents.
Iza Ogris, Barbara Zupančič, Izidor Sosič, Franci Merzel, Simona Golič Grdadolnik   +4 more
doaj   +1 more source

Onset of slow dynamics in difluorotetrachloroethane glassy crystal

, 2005
Complementary Neutron Spin Echo and X-ray experiments and Molecular Dynamics simulations have been performed on difluorotetrachloroethane (CFCl2-CFCl2) glassy crystal.
E. Cochin, F. Affouard, F. Danède, Götze W., Ivanov E. N., M. Descamps, R. Decressain, Schilling R., Sherwood J. N., W. Haeussler   +9 more
core   +1 more source

Observation of a phonon bottleneck in copper-doped colloidal quantum dots

Nature Communications, 2019
Weak electron-phonon scattering that can enable long-lived hot electrons in semiconductors is of interest in hot carrier solar cells. Here, the authors report copper-doped colloidal cadmium-selenide quantum dots with hot electron lifetime extended by ...
Lifeng Wang, Zongwei Chen, Guijie Liang, Yulu Li, Runchen Lai, Tao Ding, Kaifeng Wu   +6 more
doaj   +1 more source

Structural relaxation in a supercooled molecular liquid

, 2003
We perform molecular-dynamics simulations of a molecular system in supercooled states for different values of inertia parameters to provide evidence that the long-time dynamics depends only on the equilibrium structure.
, F Sciortino, Götze W., S.-H Chong, Sciortino F.   +4 more
core   +1 more source

Rotational dynamics and friction in double-walled carbon nanotubes

, 2006
We report a study of the rotational dynamics in double-walled nanotubes using molecular dynamics simulations and a simple analytical model reproducing very well the observations.
A. Einstein, J. Servantie, M. Berry, P. Gaspard, R. Kubo, R. Saito   +5 more
core   +1 more source

High-resolution adaptive optical imaging within thick scattering media using closed-loop accumulation of single scattering

Nature Communications, 2017
Optical imaging deep in biological tissue is difficult due to multiple scattering and specimen induced aberrations of both the incident and reflected light. Here, Kang et al.
Sungsam Kang, Pilsung Kang, Seungwon Jeong, Yongwoo Kwon, Taeseok D. Yang, Jin Hee Hong, Moonseok Kim, Kyung–Deok Song, Jin Hyoung Park, Jun Ho Lee, Myoung Joon Kim, Ki Hean Kim, Wonshik Choi   +12 more
doaj   +1 more source

Ultraviolet photolysis of H2S and its implications for SH radical production in the interstellar medium

Nature Communications, 2020
Sulfur is abundant in the Universe, but the observed abundance ratio of SH to H2S doesn’t agree with astrochemical models. The authors measure product state-resolved translational energy spectra of photoproducts in a jet-cooled H2S beam as a function of ...
Jiami Zhou, Yarui Zhao, Christopher S. Hansen, Jiayue Yang, Yao Chang, Yong Yu, Gongkui Cheng, Zhichao Chen, Zhigang He, Shengrui Yu, Hongbin Ding, Weiqing Zhang, Guorong Wu, Dongxu Dai, Colin M. Western, Michael N. R. Ashfold, Kaijun Yuan, Xueming Yang   +17 more
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Programming an interpreter using molecular dynamics [PDF]

, 2007
PGA (ProGram Algebra) is an algebra of programs which concerns programs in their simplest form: sequences of instructions. Molecular dynamics is a simple model of computation developed in the setting of PGA, which bears on the use of dynamic data ...
C. A. Middelburg, C. A. Middelburg, C. A. Middelburg, J. A. Bergstra, J. A. Bergstra, J. A. Bergstra   +5 more
core   +4 more sources

Molecular dynamics simulations of glassy polymers

, 2009
We review recent results from computer simulation studies of polymer glasses, from chain dynamics around the glass transition temperature Tg to the mechanical behaviour below Tg.
Agapov, Aichele, Aichele, Alba-Simionesco, Alcoutlabi, Alexey Lyulin, Alexiadis, Andreanov, Angell, Angell, Baljon, Baljon, Baschnagel, Baschnagel, Bennemann, Bernabei, Bernabei, Berriot, Berthier, Berthier, Binder, Binder, Binder, Binder, Bohme, Boyce, Brodeck, Brüning, Buchholz, Bulacu, Bunker, Cavallo, Chaudhuri, Chen, Chong, Chong, Chopra, Chow, Colmenero, Colmenero, Colmenero, Colmenero, de Gennes, De Michele, Debenedetti, Ding, Dotson, Dudowicz, Ediger, Efremov, Ellison, Ellison, Fakhraai, Fakhraai, Fetters, Fetters, Flenner, Flenner, Foffi, Forrest, Forrest, Fredrickson, Fryer, Fuchs, Fukao, Fukao, Fukao, Gallo, Glotzer, Govaert, Granick, Grohens, Götze, Haward, Herminghaus, Herminghaus, Heuer, Hintermeyer, Hoy, Hoy, Hoy, Huth, Jain, Jain, Jain, Jean-Louis Barrat, Jörg Baschnagel, Keddie, Keys, Kim, Kim, Kob, Kob, Krakoviack, Krakoviack, Kramer, Krushev, Krushev, Kumar, Kunal, Lee, Likhtman, Lipson, Lobe, Lodge, Long, Lund, Lupaşcu, Lyulin, Lyulin, Lyulin, Lyulin, Lyulin, Lyulin, Makke, Manias, Mansfield, Mayer, Mayr, McCarty, McCoy, McKechnie, McLeish, Merabia, Merabia, Metatla, Meyer, Meyer, Meyer, Meyer, Mittal, Montes, Moreno, Moreno, Moreno, Morita, Murtola, Muthukumar, Müller-Plathe, Napolitano, Napolitano, Narros, Ngai, Oleinik, Papakonstantopoulos, Papakonstantopoulos, Papakonstantopoulos, Paul, Paul, Peter, Peter, Peter, Peter, Peter, Peter, Peter, Priestley, Riggleman, Riggleman, Riggleman, Riggleman, Riggleman, Rottler, Rottler, Rottler, Rottler, Rottler, Salamatina, Sarva, Scheidler, Scheidler, Scheidler, Schweizer, Serghei, Serghei, Servantie, Sharp, Signorini, Smith, Smith, Smith, Sokolov, Soldera, Sperl, Starr, Starr, Strauch, Sundararajan, Szamel, Tanguy, Teboul, Theodorou, Torres, Truskett, Tsalikis, Tsamados, Tsui, Utz, Vallee, Vallee, van Melick, van Melick, Van Workum, Varnik, Varnik, Varnik, Varnik, Vettorel, Vogel, Voigtmann, Vollmayr, Vollmayr, Vorselaars, Vorselaars, Warren, Wittmer, Xu, Yamamoto, Yan, Yoshimoto, Yoshimoto, Yoshimoto, Zaccarelli, Zamponi   +223 more
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Do Osmolytes Impact the Structure and Dynamics of Myoglobin?

Molecules, 2018
Osmolytes are small organic compounds that can affect the stability of proteins in living cells. The mechanism of osmolytes’ protective effects on protein structure and dynamics has not been fully explained, but in general, two possibilities have ...
Dorota Kossowska, Kyungwon Kwak, Minhaeng Cho   +2 more
doaj   +1 more source