Browsing by Author "Bisetty, Krishna"
Sharma, Parul; Singh, Parvesh; Bisetty, Krishna; Pérez González, Juan Jesús (2011-09-15)
Restricted access - publisher's policyA methodological study has been undertaken to assess the conformational profile of Neuromedin B (NMB) using classical molecular dynamics simulations (MD) and replica exchange molecular dynamics (REMD) simulations under ...
Computational study of the free energy landscape of the miniprotein CLN025 in explicit and implicit solvent Rodríguez García, Alejandro; Mokoema, Pol; Corcho Sánchez, Francisco José; Bisetty, Krishna; Pérez González, Juan Jesús (2010-02-17)
Restricted access - publisher's policyThe prediction capabilities of atomistic simulations of peptides are hampered by different difficulties, including the reliability of force fields, the treatment of the solvent or the adequate sampling of the conformational ...