Jan H Jensen

发表

Fully Integrated Effective Fragment Molecular Orbital Method.

Mark S Gordon, Casper Steinmann, Spencer R Pruitt, 2013, Journal of chemical theory and computation.

A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space† †Electronic supplementary information (ESI) available: The codes used in this study can be found on GitHub: github.com/jensengroup/GB-GA/tree/v0.0 and github.com/jensengroup/GB-GM/tree

Jan H Jensen, 2019, Chemical science.

Bayesian inference of protein structure from chemical shift data

Jan H. Jensen, Thomas Hamelryck, Lars A. Bratholm, 2015, PeerJ.

Effective fragment molecular orbital method: a merger of the effective fragment potential and fragment molecular orbital methods.

Jan H. Jensen, Casper Steinmann, Jan H Jensen, 2010, The journal of physical chemistry. A.

Prediction and rationalization of the pH dependence of the activity and stability of family 11 xylanases.

Jan H. Jensen, Jacob Kongsted, Ulf Ryde, 2007, Biochemistry.

Determinants of the relative reduction potentials of type-1 copper sites in proteins.

Jan H. Jensen, Jan H Jensen, Simon P Webb, 2004, Journal of the American Chemical Society.

Protein–protein binding is often associated with changes in protonation state

Jan H. Jensen, Jan H Jensen, J. H. Jensen, 2008, Proteins.

Covalent bond fragmentation suitable to describe solids in the fragment molecular orbital method.

Jan H. Jensen, Kazuo Kitaura, Jan H Jensen, 2008, The journal of physical chemistry. A.

Calculating pH and salt dependence of protein-protein binding.

Jan H. Jensen, Jan H Jensen, J. H. Jensen, 2008, Current pharmaceutical biotechnology.

Prediction of pKa values using the PM6 semiempirical method

Jan H. Jensen, Jan H Jensen, Jimmy C. Kromann, 2016, PeerJ.