Use of Molecular Mechanics Force Fields and Rism Densities to Improve Macromolecular Models

JG Gray - 2020 - search.proquest.com
© 2020 Jonathon George Gray ALL RIGHTS RESERVED Page 1 © 2020 Jonathon George
Gray ALL RIGHTS RESERVED Page 2 Page 3 Page 4 ProQuest Number: All rights …

[PDF][PDF] An Overview (User Manual for DSSR 2.3)

XJ Lu - docs.x3dna.org
As the number of experimentally solved RNA-containing structures deposited in the PDB
(Burley et al., 2018) grows, it is becoming increasingly important to characterize the …

CALCULATION OF THE SOLVENT AND ION ATMOSPHERE OF MACROMOLECULES USING 3D-RISM

DA Case - MAFELAP 2019 abstracts for the mini-symposium … - people.brunel.ac.uk
The ionic atmosphere around highly charged molecules, like DNA and other
macromolecules, involves a complex interplay of co-ions, counter-ions and water …

[PDF][PDF] Mg2+ Impacts the Twister Ribozyme through Push-Pull Stabilization of Non-Sequential

AA Kognole, AD MacKerell Jr - interaction, 2012 - scholar.archive.org
RNA molecules perform a variety of biological functions for which the correct three-
dimensional structure is essential, including as ribozymes where they catalyze chemical …