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Molecular dynamics simulations on the free and complexed N-terminal SH2 domain of SHP-2., , and . In Silico Biology, 2 (3): 305-311 (2002)Update of the ATTRACT force field for the prediction of protein-protein binding affinity., , , and . Journal of Computational Chemistry, 38 (21): 1887-1890 (2017)Efficient inclusion of receptor flexibility in grid-based protein-ligand docking., and . Journal of Computational Chemistry, 32 (16): 3433-3439 (2011)Rapid approximate calculation of water binding free energies in the whole hydration domain of (bio)macromolecules., and . Journal of Computational Chemistry, 37 (18): 1711-1724 (2016)The tL structure within the leader region of Escherichia coli ribosomal RNA operons has post-transcriptional functions., , , , and . Nucleic Acids Research, 18 (13): 3893-3901 (1990)DNA interaction of the CcrM DNA methyltransferase: a mutational and modeling stud, , , and . 13 (9): 1304-1311 (2012)Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function, , , , , , , , , and 15 other author(s). Science advances, 8 (36): eabm2427 (2022)Protein-Ligand Docking Using Hamiltonian Replica Exchange Simulations with Soft Core Potentials., and . Journal of Chemical Information and Modeling, 54 (6): 1669-1675 (2014)Efficient evaluation of sampling quality of molecular dynamics simulations by clustering of dihedral torsion angles and Sammon mapping., , and . Journal of Computational Chemistry, 30 (3): 479-492 (2009)Fast and accurate grid representations for atom-based docking with partner flexibility., and . Journal of Computational Chemistry, 38 (17): 1538-1546 (2017)