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79 results for “NAMD”
NAMD Trajectory of a Palmitoyl Sphingomyelin Bilayer
<p>All-atom PSM bilayer simulated in NPT ensemble with NAMD and the CHARMM36 force field from Doktorova et al. 2020 J. Phys. Chem. B. article (DOI 10.1021/acs.jpcb.0c03389). The trajectory represents the last 117 ns used for analysis where the area per lipid is equilibrated (the file has 5874 frames output every 20 ps). The bilayer has 200 lipids total (100 lipids per leaflet) and is hydrated with 45 waters/lipid. The simulation was done at 55C (328.15K) and the trajectory is centered on the bilayer midplane.</p>
NAMD Trajectory of a Tetraoleoyl Cardiolipin Bilayer
<p>All-atom TOCL (tetraoleoyl cardiolipin) bilayer simulated in NPT ensemble with NAMD and the CHARMM36 force field from Doktorova et al. 2017 Phys. Chem. Chem. Phys. article (DOI 10.1039/c7cp01921a). The trajectory represents the last 155 ns used for analysis where the area per lipid is equilibrated (the file has 7752 frames output every 20 ps). The bilayer has 100 lipids total (50 lipids per leaflet) and is hydrated with 60 waters/lipid and 140mM NaCl. The simulation was done at 30C (303.15K) and the trajectory is centered on the bilayer midplane.</p>
NAMD Trajectory of a DLiPC (di18:2PC) bilayer
<p>All-atom DLiPC (1,2-dilinoleoyl-sn-glycero-3-phosphocholine) bilayer simulated in NPT ensemble with NAMD and the CHARMM36 force field from Doktorova et al. 2017 Phys. Chem. Chem. Phys. article (DOI 10.1039/c7cp01921a). The trajectory represents the last 245 ns used for analysis where the area per lipid is equilibrated (the file has 12250 frames output every 20 ps). The bilayer has 200 lipids total (100 lipids per leaflet) and is hydrated with 45 waters/lipid. The simulation was done at 25C (298.15K) and the trajectory is centered on the bilayer midplane.</p> <p> </p> <p> </p>
Progeny Project NAMD data for MW1 and MW2 surfactants
<p>Data of the excitation energy relaxation in MW1 and MW2 surfactants of Progeny project from non-adiabatic molecular dynamics simulations</p> <p>See Readme.txt for more details.</p> <p> </p> <p> </p>
Progeny Project DFT and NAMD data for periodic 2D surfactant
<p>Crystalline unit cell, band structure, and electron-hole recombination dynamics from non-adiabatic molecular dynamics for the periodic 2D surfactant of the Progeny.</p> <p>See Readme.txt for more details.</p>
Study to Evaluate the Safety and Effectiveness of Intravitreal Injections (IVI) of Brolucizumab in Patients With Neovascular Age-related Macular Degeneration (nAMD)
ClinicalTrials.gov study NCT05269966. IPD Sharing: YES. Countries: 1. Publications: 16.
Molecular Dynamics of Omicron-RBD and hACE2 performed with NAMD at 37 degrees Celsius
<p>Molecular Dynamics of Omicron-RBD and hACE2 performed with NAMD at 37 degrees Celsius. The PDB used is 7T9K for an MD of 9 nanoseconds. Amino acids side chains are in yellow which are the 11 amino acids specific to the Omicron variant mapped to the interface with hACE2 receptor. The mutations in Omicron make this variant to bind better to the hACE2 receptor and to evade most previous immunity including vaccines. Visualization in UCSF Chimera.</p>
Safety and Efficacy of Switching From Aflibercept to Ranibizumab in Patients With nAMD
ClinicalTrials.gov study NCT02161575. IPD Sharing: Not stated. Countries: 2. Publications: 1.
Randomized Study for Efficacy and Safety of Ranibizumab 0.5mg in Treat-extend and Monthly Regimens in Patients With nAMD
ClinicalTrials.gov study NCT01948830. IPD Sharing: Not stated. Countries: 19. Publications: 3.
Efficacy and Safety of Two Different Aflibercept Regimens in Subjects With Neovascular Age-related Macular Degeneration (nAMD)
ClinicalTrials.gov study NCT02540954. IPD Sharing: NO. Countries: 14. Publications: 1.
NAMD Trajectory of a POPC/PSM 70/30 bilayer
<p>All-atom bilayer mixture of POPC/PSM 70/30 simulated in an NPT ensemble with NAMD and the CHARMM36 force field from Doktorova et al. 2017 Phys. Chem. Chem. Phys. article (DOI 10.1039/c7cp01921a). The trajectory represents the last 126 ns used for analysis where the area per lipid is equilibrated (the file has 3145 frames output every 40 ps). The bilayer has 200 lipids total (100 lipids per leaflet) and is hydrated with 70 waters/lipid and 140mM NaCl. The simulation was done at 25C (298.15K) and the trajectory is centered on the bilayer midplane.</p>
LX102 in Patients With Neovascular Age-Related Macular Degeneration (nAMD)
ClinicalTrials.gov study NCT06198413. IPD Sharing: NO. Countries: 1. Publications: 0.
Study of Safety and Efficacy of Brolucizumab 6 mg Drug Product Intended for Commercialization in Patients With nAMD
ClinicalTrials.gov study NCT03386474. IPD Sharing: YES. Countries: 2. Publications: 0.
Single Injection of Faricimab for nAMD With Persisting Fluid Despite Frequent Aflibercept Treatments
ClinicalTrials.gov study NCT06124677. IPD Sharing: UNDECIDED. Countries: 1. Publications: 1.
Aflibercept 8 mg for nAMD: Early Anatomical and Functional Changes
ClinicalTrials.gov study NCT07074054. IPD Sharing: NO. Countries: 1. Publications: 1.
A Study to Evaluate Real-world Brolucizumab Effectiveness and Safety in Japanese Patients With Neovascular Age-related Macular Degeneration (nAMD)
ClinicalTrials.gov study NCT06699914. IPD Sharing: Not stated. Countries: 1. Publications: 1.
M Charts Versus Amsler Test in Evaluating Metamorphopsia in nAMD
ClinicalTrials.gov study NCT05324150. IPD Sharing: NO. Countries: 1. Publications: 9.
This Project At LMU Looks At How Using AI 2nd Opinion Report to Analyze Retinal Eye Scans Impact Doctors' Decisions About Treatment for Patients with a Specific Eye Disease (nAMD)
ClinicalTrials.gov study NCT06817915. IPD Sharing: UNDECIDED. Countries: 1. Publications: 1.
NAMD Simulation of Pure POPC Membranes with CHARMM36 Force Field
<p><strong>System:</strong> POPC membrane with 72 (36 x 36) lipids</p> <p><strong>Number of POPC: </strong>72</p> <p><strong>Number of Waters:</strong> 2520</p> <p><strong>Water model: </strong>TIP3P [WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein <em>J. Chem. Phys.</em> <strong>79</strong> 926 (1983)].</p> <p><strong>Force Field:</strong> CHARMM36</p> <p><strong>Simulation engine:</strong> NAMD Git-2020-02-27 for Linux-x86_64-multicore-CUDA [Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)]</p> <p><strong>Number of independent repeats per setup: </strong>1.<br> <strong>Trajectory lengths per repeat:</strong> 100 ns.<br> <strong>Previously equilibrated for:</strong> 0 ns.<br> <strong>Sampling rate:</strong> every 100 ps.</p> <p><strong>Time integration step:</strong> 2 fs. (For further info, please see the .inp file)</p> <p> </p> <p> </p>
A Phase 3b, Single-Arm Study of Aflibercept 8 mg Dosed Every 4 Weeks in Adult Participants With Neovascular Age-Related Macular Degeneration (nAMD) or Diabetic Macular Edema (DME)
ClinicalTrials.gov study NCT06491914. IPD Sharing: YES. Countries: 2. Publications: 0.
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