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13 results for “opls”
Text-fig. 6. Ornithorhynchus anatinus. Transverse section through the otic region of the head of a 180-mm specimen. ls: supracapsular lamina; lsc: lateral semicircular canal; mt: musculus temporalis; opa: parietal bone; opl: pluteal bone; ppe: parietal process of endocranium (blue). (Modified from Zeller 1989.) in Cartilago Teniformis And Its Derivatives: Additional Information On The Basic Composition And Evolution Of The Skull
Text-fig. 6. Ornithorhynchus anatinus. Transverse section through the otic region of the head of a 180-mm specimen. ls: supracapsular lamina; lsc: lateral semicircular canal; mt: musculus temporalis; opa: parietal bone; opl: pluteal bone; ppe: parietal process of endocranium (blue). (Modified from Zeller 1989.)
Simulation of a POPE bilayer, lipid model based on OPLS-aa by Rog et al.
<p>A 500 ns-long simulation of a bilayer consisting of 144 POPE lipids and 40 water molecules per lipid. All GROMACS-compatible input and output files are required. Topologies are provided by their original authors.</p> <p>If you use the topologies, please cite the papers indicated in the POPE.itp file.</p>
POPC_Ulmschneider_OPLS_NaCl_015Mol
<p>MD simulation trajectory and related files for fully hydrated POPC bilayer with 0.15M NaCl. The Ulmschneider force field for POPC was used with Gromacs 5.0.3 [1,2]. Ions were described by OPLS-AA force field (Gromacs 5.0.3). Conditions: T=298.15, 128 POPC molecules, 5120 tip3p waters, 12 Na, 12 Cl. 200ns trajectory (preceded by 5ns NPT equillibration).</p> <p>This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi</p> <p>[1] J.P. Ulmschneider & M.B. Ulmschneider, United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field, JCTC 2009, 5(7), 1803–1813</p> <p>[2] http://lipidbook.bioch.ox.ac.uk/package/show/id/52.html</p>
POPC_Ulmschneider_OPLS_Verlet_Group
<p>MD simulation trajectory and related files for fully hydrated POPC bilayer run with Verlet and Group schemes. The Ulmschneider force field for POPC was used with Gromacs 5.0.3 [1,2]. Conditions: T=298.15, 128 POPC molecules, 5120 tip3p waters. 200ns trajectory (preceded by 5ns NPT equillibration). Starting structure was obtained from CHARMM-GUI [3].</p> <p>This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi</p> <p>[1] J.P. Ulmschneider & M.B. Ulmschneider, United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field, JCTC 2009, 5(7), 1803–1813</p> <p>[2] http://lipidbook.bioch.ox.ac.uk/package/show/id/52.html</p> <p>[3] http://www.charmm-gui.org/</p>
POPC_Ulmschneider_OPLS_NaCl_1Mol
<p>MD simulation trajectory and related files for fully hydrated POPC bilayer with 1M NaCl. The Ulmschneider force field for POPC was used with Gromacs 5.0.3 [1,2]. Ions were described by OPLS-AA force field (Gromacs 5.0.3). Conditions: T=298.15, 128 POPC molecules, 5120 tip3p waters, 77 Na, 77 Cl. 200ns trajectory (preceded by 5ns NPT equillibration).</p> <p>This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi</p> <p>[1] J.P. Ulmschneider & M.B. Ulmschneider, United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field, JCTC 2009, 5(7), 1803–1813</p> <p>[2] http://lipidbook.bioch.ox.ac.uk/package/show/id/52.html</p>
Methanol-water mixtures obtained with the OPLS force field and SPCE water model
<p>These are Gromacs trajectories, 20 ps each, with MD information corresponding to pure water (one trajectory), methanol (one trajectory), and 2:1 molar mixtures of the two (10 trajectories). The pure water system contains 800 molecules, pure methanol contains 400 molecules, and each of the mixtures contains 400 water molecules and 200 methanol molecules. The force field employed is OPLS and water was simulated with the rigid SPCE model.</p> <p>These trajectories are made available with the main purpose of being used to run one of the DoSPT tutorials:</p> <p>http://dospt.org/index.php/Tutorial_2:_entropy_of_mixing_of_methanol%2Bwater</p>
Variables of importance in the projection (VIP) list with values > 1 from OPLS-DA analysis of Citrus samples inoculated with Xanthomonas citri subs. citri
<p>Features filtered containing Variables of importance in the projection (VIP) values > 1 from OPLS-DA analysis (SIMCA) of Citrus sinensis samples inoculated with Xanthomonas citri subs. citri after 24 and 48 hours post inoculation.</p>
OPLS-UA POPE Simulations (versions 1 and 2) 303 K with vdW on H atoms
<p>Two OPLS-UA POPE bilayer simulations performed using GROMACS 4.5.7 for 200 ns with different starting velocities. Simulations were performed with a 1.0 nm cut-off with PME for the Coulombic and a 1.0 nm cut-off for the van der Waals interactions interactions. These simulations were performed at 303 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was made through the conversion of an equilibrated OPLS-UA POPC membrane. The PE parameters were constructed by modifying the OPLS-UA POPC of Ulmschneider and Ulmschnider with the standard OPLS lysine parameters and the addition of LJ parameters on the hydrogen atoms in the head group (designed to increase the area per lipid).</p>
OPLS-UA POPE Simulations (versions 1 and 2) 303 K
<p>Two OPLS-UA POPE bilayer simulations performed using GROMACS 4.5.7 for 200 ns with different starting velocities. Simulations were performed with a 1.0 nm cut-off with PME for the Coulombic and a 1.0 nm cut-off for the van der Waals interactions interactions. These simulations were performed at 303 K with a 128 lipid bilayer. The full trajectories are provided bar the initial 100 ns. The starting structure was made through the conversion of an equilibrated OPLS-UA POPC membrane. The PE parameters were constructed by modifying the OPLS-UA POPC of Ulmschneider and Ulmschnider with the standard OPLS lysine parameters.</p>
Candonilimab and ATRA Acid for Prevention of Oral Cancer Recurrence in Patients With OPL
ClinicalTrials.gov study NCT06728631. IPD Sharing: NO. Countries: 1. Publications: 0.
A PK Dose Proportionality Study of OPL-002 in Healthy Volunteers
ClinicalTrials.gov study NCT04451811. IPD Sharing: NO. Countries: 1. Publications: 0.
Phase 2 Spectra Study to Evaluate the Safety and Efficacy of OPL-0401 in Patients With Diabetic Retinopathy
ClinicalTrials.gov study NCT05393284. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Efficacy and Safety of OPL-0301 Compared to Placebo in Adults With Post-Myocardial Infarction (MI)
ClinicalTrials.gov study NCT05327855. IPD Sharing: Not stated. Countries: 0. Publications: 0.
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