Author of the publication

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

Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge., , , , , and . J. Comput. Aided Mol. Des., 30 (11): 927-944 (2016)The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations., , , , , , , , , and 7 other author(s). J. Comput. Aided Mol. Des., 34 (5): 601-633 (2020)Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset., , , , , , , and . J. Comput. Aided Mol. Des., 31 (8): 777 (2017)Native-like Mean Structure in the Unfolded Ensemble of Small Proteins, , , , and . J. Mol. Biol., (2002)Direct calculation of the binding free energies of FKBP ligands, , , , , , , and . Journal of Chemical Physics, (2005)Overview adcm43.bhtof the SAMPL5 host-guest challenge: Are we doing better?, , , , , , and . J. Comput. Aided Mol. Des., 31 (1): 1-19 (2017)Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics., , , and . J. Comput. Aided Mol. Des., 27 (12): 989-1007 (2013)GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit., , , , , , , , , and 2 other author(s). Bioinform., 29 (7): 845-854 (2013)Simple Quantitative Tests to Validate Sampling from Thermodynamic Ensembles. Journal of Chemical Theory and Computation, 9 (2): 909-926 (2013)PMID: 26588735.Adaptive Ensemble Biomolecular Applications at Scale., , , , , and . SN Comput. Sci., 1 (2): 104 (2020)