oTarhrFeyllapaglnahdsΔm),CiddBe1ppTEh4oTLhs2pi6sh6shoerΔxypClraeBtse1sdiTo4bnLyh: iAs6na.t( a3Rr.e0cst µtircgi)cptwhiooansspddhiiggaeteasststeieod(nwNaientwhdNEdndepegIhlaaonnsdpdhBNoicoroylIalabrtesis)otnarniocd-f purified using the Wizard gel and PCR clean-up system (...
The Protein Preparation Wizard [40] of Maestro was used to prepare the protein structure. We used the Desmond [20] Molecular Dynamics System, ver. 3.6 (Schrödinger) with the OPLS-3 force field and RESPA [41] integrator to perform a 10 ns MD simulation. The best scoring pose of ...
Eye-Tracking-Based Wizard-of-Oz Usability Evaluation of an Emotional Display Agent Integrated to a Virtual Environment. Acta Polytech. Hung. 2019, 16, 145–162. 14. Kovari, A.; Katona, J.; Costescu, C. Evaluation of Eye-Movement Metrics in a Software Debbuging Task Using Gp3 Eye ...
Molecular docking of these compounds was performed through PyRx which contained Open Bebel, Vina Wizard, Autodock vina and python interpreter so that it could automatically convert files into the required file format. Active site residues were predicted via cocrystal structure and the CASTp server. ...
Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard. Acta Crystallogr. D Biol. Crystallogr. 2008, 64, 61–69. 21. Smart, O.S.; Womack, T.O.; Flensburg, C.; Keller, P.; Paciorek, W.; Sharff, A.; Vonrhein, C.; Bricogne, G. ...
A 1QLP structure was prepared according to the Protein Preparation Wizard process using the OPLS4 force field, maintaining the crystal symmetry and filling the missing loops using Prime, a bioinformatic tool that is part of the same suite. The obtained optimized structure was the starting point ...
PCR products were purified using Wizard® SV and PCR Clean-Up System (Promega, Madison, WI, USA) and cloned into competent Escherichia coli cells using the Strataclone PCR cloning Kit (Agilent Technologies, Santa Clara, CA, USA) according to manufacturers' protocols. Two sets of dilutions ...
MIDs were calculated using MetaboliteDetector's MID wizard, and relative quantification was done using the batch quantification function. 5. Conclusions The application of our developed workflow enables the accurate determination of 13C enrichment below 1% in up to 25 plasma metabolites with conventional...