Search Results - "Morley, S David"

rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acids by Ruiz-Carmona, Sergio, Alvarez-Garcia, Daniel, Foloppe, Nicolas, Garmendia-Doval, A Beatriz, Juhos, Szilveszter, Schmidtke, Peter, Barril, Xavier, Hubbard, Roderick E, Morley, S David

“…Identification of chemical compounds with specific biological activities is an important step in both chemical biology and drug discovery. When the structure…”
Get full text

Unveiling the Full Potential of Flexible Receptor Docking Using Multiple Crystallographic Structures by Barril, Xavier, Morley, S. David

“…One of the current challenges in docking studies is the inclusion of receptor flexibility. This is crucial because the binding sites of many therapeutic…”
Get full text

Validation of an empirical RNA-ligand scoring function for fast flexible docking using Ribodock by Morley, S David, Afshar, Mohammad

“…We report the design and validation of a fast empirical function for scoring RNA-ligand interactions, and describe its implementation within RiboDock, a…”
Get full text

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids: e1003571 by Ruiz-Carmona, Sergio, Alvarez-Garcia, Daniel, Foloppe, Nicolas, Garmendia-Doval, A Beatriz, Juhos, Szilveszter, Schmidtke, Peter, Barril, Xavier, Hubbard, Roderick E, Morley, S David

“…Identification of chemical compounds with specific biological activities is an important step in both chemical biology and drug discovery. When the structure…”
Get full text

COSMIC(90): an improved molecular mechanics treatment of hydrocarbons and conjugated systems by Morley, S D, Abraham, R J, Haworth, I S, Jackson, D E, Saunders, M R, Vinter, J G

“…Four modifications to the COSMIC molecular mechanics force field are described, which greatly increase both its versatility and the accuracy of calculated…”
Get full text