MolMol is an open-source project developed for displaying, analyzing, and manipulating 3D molecular structures. The program uses PDB files to store molecule descriptions. This file format is classified as Simple text file. Related links: Science Direct article, Reference manual Palm OS (Palm OS da...
The twist angle observed in CE-CETP crystal structure is shown in dotted line for reference. Full size image TG bound CETP exhibits similar dynamics as that of the CE-CETP crystal structure To investigate the effects of bound TGs on the dynamics of CETP, we examined the angular motions - ...
If you have the need to introduce a new residue into an existing force field so that you can use :ref:`pdb2gmx <gmx pdb2gmx>`, or modify an existing one, there are several files you will need to modify. You must consult the :doc:`/reference-manual/index/` for description of the...
anti}^{^\circ }\) = −8.1 ± 0.2 kcal/mol is similar to that measured for the unmethylated RNA\({{\Delta}} {G}_{{{\mathrm{anneal}}},A}^{^\circ }\) = −7.6 ± 0.1 kcal/mol, with the methyl group being only slightly stabilizing within error by...
2.2.2. Correlation of SF to the Experimental Values Most of the selected SFs reproduced the reference pK values with moderate quality (R2~0.3–0.4) (Table 3) which is an expected result [11]. Most modern scoring functions are only that precise in terms of the reproduction of reference energ...
A PyMol scene (.pse) can be 'converted' into a PyMol show (.psw) file, and vice-versa, just by changing its extension. With reference to Singer's Professional Sew-Ware (PSW) embroidery and sewing software, the .psw extension denotes the software's native PSW Design (.psw) file ...
tosynisomer by ~0.5 kcal/mol36, and correspondingly, the destabilizing effects of m6A on RNA duplexes is reduced by ~0.2 kcal/mol in the presence of 3 mM Mg2+relative to the absence of Mg2+(Supplementary Table1). Testing the CS kinetic model...