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The final energy function used for docking was then <img src="http://journals.plos.org/plosone/article/asset?id=info?doi/10.1371/journal.pone.0014383.e004.PNG" class= inline-graphic"/> The ICM Monte Carlo simulations were run for a total 5×107 function calls using a temperature parameter of 700K.
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The annealing algorithm uses a temperature parameter simulating a cooling factor that imposes a probability to the addition of nodes that do not improve the module score and this probability decreases with each iteration until the algorithm becomes greedy.
The electrical characteristics of the a-IGZO TFT device were performed at room temperature using a semiconductor parameter Hewlett-Packard (HP) 4156C (Palo Alto, CA, USA).
For distearoylphosphatidylcholine (DSPC) and Chol, using a similar temperature dependence of the interaction parameter as for DPPC/Chol in combination with high temperature measurements (31, 37), the interaction between DSPC and Chol is estimated to be ωAB = −350 cal/mol.
More specifically, a Boltzmann exploration policy was used with the temperature parameter of the Boltzmann distribution being halved after every 25 training episodes and reaching a final value of 0.0001 after 250 episodes.
Experimental results were fitted with the Flory–Huggins model using an interaction parameter depending on both temperature and composition.
Experimental results for the isotropic-nematic transition could be reproduced by numerical simulation, using an interaction parameter inversely proportional to temperature and decreasing with conversion.
During this survey, 113 hydrographic stations were sampled (Fig. 2A) to acquire vertical profiles of physical-biogeochemical parameters using a conductivity-temperature-depth probe equipped with a dissolved oxygen sensor (CTDO).
The electrical I-V characteristics of the produced nanowire samples were measured at different temperatures using a Keithley 4200 semiconductor parameter analyzer (Hsinchu, Taiwan). Figure 1a, b, c shows representative photographs of the Cu/Ti film-coated Si sample and the samples after the Cu electroplating process and the thermal oxidation treatment, respectively.
Two independent Metropolis-coupled Markov-chain Monte Carlo (MC3) simulations were run for 5×105 generations, sampling every 100th, using three heated chains (temperature parameter set to 0.2) and a reversible-jump model prior to use the chain for model selection.
Soft van der Waals potentials and a high temperature parameter were used to facilitate ligand sampling.
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