Autor der Publikation

A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6.

, , , und . J. Comput. Chem., 25 (13): 1656-1676 (2004)

Bitte wählen Sie eine Person um die Publikation zuzuordnen

Um zwischen Personen mit demselben Namen zu unterscheiden, wird der akademische Grad und der Titel einer wichtigen Publikation angezeigt. Zudem lassen sich über den Button neben dem Namen einige der Person bereits zugeordnete Publikationen anzeigen.

 

Weitere Publikationen von Autoren mit dem selben Namen

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