نتایج جستجو برای: namd
تعداد نتایج: 319 فیلتر نتایج به سال:
BACKGROUND To estimate the need for bilateral intravitreal anti-VEGF injections in patients treated for neovascular age-related macular degeneration (nAMD), diabetic macular edema (DME), retinal vein occlusion, choroidal neovascularization (CNV) in high myopia, and other causes of CNV. METHODS All consecutive patients treated with intravitreal anti-VEGF injection over a 1-month period were in...
CONTEXT Treatment satisfaction with a loading phase of monthly injections for 3 months followed by a pro-re-nata regimen of ranibizumab in neovascular age-related macular degeneration (nAMD) remains unclear. AIMS The aim was to evaluate the treatment satisfaction of persons with nAMD treated with ranibizumab in a real-life setting. SETTINGS AND DESIGN A cross-sectional study was conducted a...
This tutorial explains how NAMD and related tools can be used to setup and perform alchemical freeenergy simulations, within the free-energy perturbation (FEP) and thermodynamic integration (TI) theories. The “zero-sum” transformation of ethane into ethane is used as an introductory example. FEP is then used to compute the free energy of charging a naked Lennard-Jones particle into a sodium ion...
Pooled DNA based GWAS to determine genetic association of SNPs with visual acuity (VA) outcome in anti-vascular endothelial growth factor (anti-VEGF) treated neovascular age-related macular degeneration (nAMD) patients. We performed pooled DNA based GWAS on 285 anti-VEGF treated nAMD patients using high density Illumina 4.3 M array. Primary outcome was change in VA in Early Treatment Diabetic R...
The lifetime of non-equilibrium electrons and holes in semiconductors is crucial for solar cell optoelectronic applications. Non-adiabatic molecular dynamics (NAMD) simulations based on time-dependent density functional theory (TDDFT) are widely used to study excited-state carrier dynamics. However, the calculated lifetimes often different from experimental results by orders magnitude. In this ...
Purpose: To report a case where lamellar macular hole (LMH) developed following intravitreal injection of aflibercept due to neovascular age-related degeneration (nAMD).
 
 Material and Methods: A 70-year-old man diagnosed with nAMD underwent injections for three consecutive months. At follow up, the resolution subretinal fluid was revealed by optical coherence tomography (OCT), visua...
In the current study, we present nonadiabatic (NAMD) and adiabatic molecular dynamics simulations of transition-state photoexcited cyclooctatetraene (COT). The equilibrium-state structure absorption spectra are analyzed using semiempirical Austin Model 1 potential. NAMD obtained by a surface-hopping algorithm. We in detail an active excited to ground state relaxation pathway accompanied S2/S3(D...
Some of the most challenging applications to parallelize scalably are the ones that present a relatively small amount of computation per iteration. Multiple interacting performance challenges must be identified and solved to attain high parallel efficiency in such cases. We present case studies involving NAMD, a parallel classic molecular dynamics application for large biomolecular systems, and...
PURPOSE To evaluate the 5-year results obtained in clinical practice in the treatment of neovascular age-related macular degeneration (nAMD) with anti-VEGF agents. MATERIALS AND METHODS We retrospectively analyzed all patients with nAMD who initiated anti-VEGF treatment before October 2009. We collected data regarding visual and anatomical outcomes. RESULTS A total of 278 patients met the s...
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