Results 11 to 20 of about 8,584,903 (389)
Nature Communications, 2023 The authors realize longitudinal deep-brain imaging through an intact mouse skull by constructing a high-speed reflection matrix microscope at 1.3 µm wavelength and developing a computational conjugate adaptive optics algorithm eliminating skull ...
Yongwoo Kwon +7 more
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Scalable molecular dynamics on CPU and GPU architectures with NAMD.
Journal of Chemical Physics, 2020 NAMDis a molecular dynamics program designed for high-performance simulations of very large biological objects on CPU- and GPU-based architectures. NAMD offers scalable performance on petascale parallel supercomputers consisting of hundreds of thousands ...
James C. Phillips +22 more
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Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0] [PDF]
Living journal of computational molecular science, 2022 Enhanced sampling methods for molecular dynamics simulations [Article v1.0] Jérôme Hénin1,2*, Tony Lelièvre3*, Michael R. Shirts4*, Omar Valsson5,6*, Lucie Delemotte7* 1Laboratoire de Biochimie Théorique UPR 9080, CNRS, Paris, France; 2Institut de ...
J'erome H'enin +4 more
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Journal of Chemical Theory and Computation, 2022 We derive a formulation of molecular dynamics that generates only symmetric configurations. We implement it for all 2D planar and 3D space groups. An atlas of 2D Lennard-Jones crystals under all planar groups is created with symmetric molecular dynamics.
Sam Cox, Andrew D. White
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High-throughput volumetric adaptive optical imaging using compressed time-reversal matrix
Light: Science & Applications, 2022 Compressed time-reversal matrix microscopy was developed for high-throughput volumetric adaptive optical imaging, enabling aberration-free visualization of myelinated axons in a mouse brain with high volumetric resolution.
Hojun Lee +5 more
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Different NIPBL requirements of cohesin-STAG1 and cohesin-STAG2
Nature Communications, 2023 NIPBL is considered the cohesin loader. Here, the authors report that a drastic reduction of NIPBL levels reduces chromatin-bound cohesin-STAG2 genome wide while cohesin-STAG1 increases and can still be found at CTCF-bound sites but cannot form loops.
Dácil Alonso-Gil +4 more
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Molecular Dynamics Simulations: Advances and Applications
Molecules, 2022 Molecular dynamics (MD) simulations have led to great advances in many scientific disciplines, such as chemical physics, materials science, and biophysics [...].
Hugo A. L. Filipe, Luís M. S. Loura
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eLife, 2022 The rapid development of new imaging approaches is generating larger and more complex datasets, revealing the time evolution of individual cells and biomolecules. Single-molecule techniques, in particular, provide access to rare intermediates in complex,
Nadia M Huisjes +7 more
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Journal of Agricultural and Food Chemistry, 2022 In silico tools, such as molecular docking, are widely applied to study interactions and binding affinity of biological activity of proteins and peptides.
A. Vidal-Limon +2 more
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Fermionic Molecular Dynamics [PDF]
, 1997 A quantum molecular model for fermions is investigated which works with antisymmetrized many-body states composed of localized single-particle wave packets.
Feldmeier, H., Schnack, J.
core +3 more sources