Results 171 to 180 of about 15,050 (215)
Parallel Generalized Born Implicit Solvent Calculations with NAMD [PDF]
Journal of Chemical Theory and Computation, 2011 Accurate electrostatic descriptions of aqueous solvent are critical for simulation studies of bio-molecules, but the computational cost of explicit treatment of solvent is very high. A computationally more feasible alternative is a generalized Born implicit solvent description which models polar solvent as a dielectric continuum.
James C Phillips, Klaus Schulten
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Current Eye Research, 2023
Purpose Previous studies have identified a link between optical coherence tomography (OCT)-derived and OCT angiography (OCTA)-based parameters in patients with neovascular AMD (nAMD); the latter may serve as direct biomarkers for macular ...
R. Told +7 more
semanticscholar +1 more source
Purpose Previous studies have identified a link between optical coherence tomography (OCT)-derived and OCT angiography (OCTA)-based parameters in patients with neovascular AMD (nAMD); the latter may serve as direct biomarkers for macular ...
R. Told +7 more
semanticscholar +1 more source
Note: NAMD–LP: Filtering and Translating NAMD-generated Files
Molecular Simulation, 2005Currently, science is in a technological boom with many new and improved scientific tools entering the marketplace.
Eric T. Williams +2 more
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Ocular immunology and inflammation, 2021
Purpose to explore the aqueous cytokine profiles in nAMD patients before and after conbercept therapy. Methods aqueous levels of 17 cytokines were detected in 20 treatment-naïve nAMD eyes and 20 age- and sex-matched age-related cataract (ARC) eyes.
Zhiqing Chen +4 more
semanticscholar +1 more source
Purpose to explore the aqueous cytokine profiles in nAMD patients before and after conbercept therapy. Methods aqueous levels of 17 cytokines were detected in 20 treatment-naïve nAMD eyes and 20 age- and sex-matched age-related cataract (ARC) eyes.
Zhiqing Chen +4 more
semanticscholar +1 more source
Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD [PDF]
Computer Physics Communications, 2014 Computational methodologies that couple the dynamical evolution of a set of replicated copies of a system of interest offer powerful and flexible approaches to characterize complex molecular processes. Such multiple copy algorithms (MCAs) can be used to enhance sampling, compute reversible work and free energies, as well as refine transition pathways ...
Wei Jiang +2 more
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TNAMD: Implementation of TIGER2 in NAMD
Computer Physics Communications, 2010Replica-exchange molecular dynamics (REMD) must be used to enhance sampling when there are significant (relative to kT) barriers between different parts of the phase space. TIGER2 is a next-generation REMD method that offers more efficient sampling compared to the original REMD method by reducing the number of replicas required to span a given ...
Menz, W., Penna, M., Biggs, M.
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DRFNet: a deep radiomic fusion network for nAMD/PCV differentiation in OCT images
Physics in Medicine and BiologyObjective. Neovascular age-related macular degeneration (nAMD) and polypoidal choroidal vasculopathy (PCV) present many similar clinical features. However, there are significant differences in the progression of nAMD and PCV.
Erwei Shen +8 more
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NAMD: a Parallel, Object-Oriented Molecular Dynamics Program
The International Journal of Supercomputer Applications and High Performance Computing, 1996NAMD is a molecular dynamics program designed for high performance simulations of large biomolecular systems on parallel computers. An object-oriented design imple mented using C++ facilitates the incorporation of new algorithms into the program. NAMD uses spatial decom position coupled with a multithreaded, message-driven design, which is shown to ...
Mark T. Nelson +6 more
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