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Abbreviation : REX
Long Form : replica exchange
No. Year Title Co-occurring Abbreviation
2015 Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension. N-glycans
2012 Thermodynamic coupling of protonation and conformational equilibria in proteins: theory and simulation. CpHMD
2011 Predicting extreme pKa shifts in staphylococcal nuclease mutants with constant pH molecular dynamics. AUE, CpHMD, SNase
2010 Protein Folding Simulations Combining Self-Guided Langevin Dynamics and Temperature-Based Replica Exchange. LD, MD, SGLD
2009 Atomistic details of the disordered states of KID and pKID. Implications in coupled binding and folding. GB, IDPs
2008 Stabilizing helical polyalanine peptides with negative polarity or charge: capping with cysteine. MD
2007 Molecular dynamics simulations using temperature-enhanced essential dynamics replica exchange. ---
2006 Toward the accurate first-principles prediction of ionization equilibria in proteins. CpHMD
2004 Refinement of NMR structures using implicit solvent and advanced sampling techniques. GB