Group Members

portrait

Kristian Kaufmann

Former Graduate Student

Ph.D., Vanderbilt University
kristian.kaufmann [ at ] vanderbilt.edu

Research Interests:

My research focuses prediction and design of protein small molecule  interfaces using Rosetta. Rosetta currently allows rigid small molecule flexible protein side-chain docking and design. I am extending Rosetta's capabilities to include small molecule flexibility.


  • Research Projects
  • Publications
Field, J. R.;Kaufmann, K. W., Meiler, J., Blakely, R. D.
Model-guided exploration of the serotonin transporter: Evaluation of residues engaged in substrate binding and selectivity (2007) Journal of Neurochemistry

Andrew Morin;Kristian W. Kaufmann, Carie Fortenberry, Joel M. Harp, Laura S. Mizoue, Jens Meiler
Computational design of an endo-1,4-β-xylanase ligand binding site (2011) Protein Engineering Design and Selection

Kaufmann, K.;Glab, K., Mueller, R., Meiler, J.
Small Molecule Rotamers Enable Simultaneous Optimization of Small Molecule and Protein Degrees of Freedom in ROSETTALIGAND Docking (2008) German Conference on Bioinformatics

Kristian W. Kaufmann;Gordan H. Lemmon, Sam L. Deluca, Jonathan H. Sheehan; Jens Meiler
Practically Useful: What the Rosetta Protein Modeling Suite Can Do for You (2010) Biochemistry

Kaufmann, K. W.;Dawson, E. S.; Henry, L. K.; Field, J. R.; Blakely, R. D.; Meiler, J.
Structural determinants of species-selective substrate recognition in human and Drosophila serotonin transporters revealed through computational docking studies (2009) Proteins

Kaufmann K;Shen N, Mizoue L, Meiler J
A physical model for PDZ-domain/peptide interactions (2011) J. Mol. Model.

David P. Nannemann;Kristian Kaufmann, Jens Meiler, Brian Bachmann
Design and directed evolution of a dideoxy purine nucleoside phosphorylase (2010) Protein Engineering

Keith Henry;Hideki Iwamoto, Julie R. Field, Kristian Kaufmann, Eric S. Dawson, Miriam T. Jacobs, Chelsea Adams, Bruce Felts, Igor Zdravkovic, Vanessa Armstrong, Steven Combs, Ernesto Solis, Gary Rudnick, Sergei Y. Noskov, Louis J. DeFelice, Jens Meiler, and Randy D. Blakely
A Conserved Asparagine Residue in Transmembrane Segment 1 (TM1) of Serotonin Transporter Dictates Chloride-coupled Neurotransmitter Transport (2011) Journal of Biological Chemistry

Steven Combs;Kristian Kaufmann, Julie R. Field, Randy D. Blakely, and Jens Meiler
Y95 and E444 Interaction Required for High-Affinity S-Citalopram Binding in the Human Serotonin Transporter (2010) ACS Chemical Neuroscience

Gordon Lemmon;Kristian Kaufmann, Jens Meiler
Prediction of HIV-1 Protease/Inhibitor Affinity using RosettaLigand (2012) Chemical Biology & Drug Design

Daniel Rathmann;Diana Lindner, Stephanie H. DeLuca, Kristian W. Kaufmann, Jens Meiler and Annette G. Beck-Sickinger
Ligand mimicking receptor variant discloses binding and activation mode of prolactin releasing peptide (2012) J Biochemistry

Kristian W. Kaufmann;Jens Meiler
Using RosettaLigand for Small Molecule Docking into Comparative Models (2012) PLOS One

Maximiliano Figueroa;Nicolas Oliveira, Annabelle Lejeune, Kristian W. Kaufmann, Brent M. Dorr, Andre Matagne, Joseph A. Martial, Jens Meiler, Cecile Van de Weerdt
Octarellin VI: Using Rosetta to Design a Putative Artificial (β/α)8 Protein (2013) PLOS One

Nathan S. Alexander;Richard A. Stein, Hanane A. Koteiche, Kristian W. Kaufmann, Hassane S. Mchaourab, Jens Meiler
RosettaEPR: Rotamer Library for Spin Label Structure and Dynamics (2013) PLOS One

Joseph J. Crivelli;Gordon Lemmon, Kristian W. Kaufmann, Jens Meiler
Simultaneous prediction of binding free energy and specificity for PDZ domain peptide interactions (2013) J Comput Aided Mol Des

Pedragosa-Badia X;Sliwoski GR, Dong Nguyen E, Lindner D, Stichel J, Kaufmann KW, Meiler J, Beck-Sickinger AG
Pancreatic Polypeptide is Recognized by Two Hydrophobic Domains of the Human Y4 Receptor Binding Pocket (2013) J Biol Chem

Xavier Pedragosa-Badia;Gregory R. Sliwoski, Elizabeth Dong Nguyen, Diana Lindner, Jan Stichel, Kristian W. Kaufmann, Jens Meiler
Pancreatic Polypeptide Is Recognized by Two Hydrophobic Domains of the Human Y4 Receptor Binding Pocket (2014) Journal of Biological Chemistry

Xavier Pedragosa-Badia;Gregory R. Sliwoski, Elizabeth Dong Nguyen, Diana Lindner, Jan Stichel, Kristian W. Kaufmann, Jens Meiler, and Annette G. Beck-Sickinger
Pancreatic Polypeptide Is Recognized by Two Hydrophobic Domains of the Human Y4 Receptor Binding Pocket (2013) Journal of Biological Chemistry