نتایج جستجو برای: namd

تعداد نتایج: 319  

2016
Audrey Giocanti-Auregan Ramin Tadayoni Typhaine Grenet Franck Fajnkuchen Sylvia Nghiem-Buffet Corinne Delahaye-Mazza Gabriel Quentel Salomon Y. Cohen

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...

2016
Rishma Gohil Roxanne Crosby-Nwaobi Angus Forbes Ben J Burton Philip Hykin Sobha Sivaprasad

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...

2009
Jérôme Hénin Christopher Harrison Christophe Chipot

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...

Journal: :Computational Science & Discovery 2011

2016
Moeen Riaz Laura Lorés-Motta Andrea J. Richardson Yi Lu Grant Montgomery Amer Omar Robert K. Koenekoop John Chen Philipp Muether Lebriz Altay Tina Schick Sascha Fauser Dzenita Smailhodzic Freekje van Asten Eiko K. de Jong Carel B. Hoyng Kathryn P. Burdon Stuart MacGregor Robyn H. Guymer Anneke I. den Hollander Paul N. Baird

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...

Journal: :Nature Computational Science 2022

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 ...

Journal: :Cukurova Medical Journal 2023

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...

Journal: :Journal of Physical Chemistry Letters 2021

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...

Journal: :Future Generation Comp. Syst. 2006
Laxmikant V. Kalé Gengbin Zheng Chee Wai Lee Sameer Kumar

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...

2016
Ana Catarina Pedrosa Adriana Reis-Silva João Pinheiro-Costa João Beato Paulo Freitas-da-Costa Manuel S Falcão Fernando Falcão-Reis Ângela Carneiro

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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