Author of the publication

Single-step perturbations to calculate free energy differences from unphysical reference states: Limits on size, flexibility, and character.

, and . J. Comput. Chem., 24 (14): 1730-1739 (2003)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Molecular dynamics simulation of configurational ensembles compatible with experimental FRET efficiency data through a restraint on instantaneous FRET efficiencies., and . J. Comput. Chem., 35 (32): 2319-2332 (2014)Single-step perturbations to calculate free energy differences from unphysical reference states: Limits on size, flexibility, and character., and . J. Comput. Chem., 24 (14): 1730-1739 (2003)Net charge changes in the calculation of relative ligand-binding free energies via classical atomistic molecular dynamics simulation., and . J. Comput. Chem., 35 (3): 227-243 (2014)Correcting electrostatic artifacts due to net-charge changes in the calculation of ligand binding free energies., , , , and . J. Comput. Chem., 41 (10): 986-999 (2020)Design of a colicin E7 based chimeric zinc-finger nuclease., , , , , and . J. Comput. Aided Mol. Des., 28 (8): 841-850 (2014)Insights into the Binding Mode of Lipid A to the Anti-lipopolysaccharide Factor ALFPm3 from Penaeus monodon: An In Silico Study through MD Simulations., , , , , , , and . J. Chem. Inf. Model., 63 (8): 2495-2504 (April 2023)Calculation of the relative free energy of oxidation of azurin at pH 5 and pH 9., , and . J. Comput. Chem., 33 (17): 1467-1477 (2012)Calculation of binding free energies of inhibitors to plasmepsin II., , , , and . J. Comput. Chem., 32 (9): 1801-1812 (2011)Free-energy calculations of residue mutations in a tripeptide using various methods to overcome inefficient sampling., , and . J. Comput. Chem., 37 (29): 2597-2605 (2016)Molecular dynamics of the immune checkpoint programmed cell death protein I, PD-1: conformational changes of the BC-loop upon binding of the ligand PD-L1 and the monoclonal antibody nivolumab., , and . BMC Bioinform., 21-S (17): 557 (2020)