Publications

Tobias Kulschewski, and Jürgen Pleiss. A molecular dynamics study of liquid aliphatic alcohols: simulation of density and self-diffusion coefficient using a modified OPLS force field. Mol Simulat, (39):754 - 767, 2013. [PUMA: from:florianmeyer]

M Fischer, QK Thai, Melanie Grieb, and Jürgen Pleiss. DWARF - a data warehouse system for analyzing protein families. BMC Bioinformatics, (7):495 - 495, 2006. [PUMA: imported]

Michael Widmann, PB Juhl, and Jürgen Pleiss. Structural classification by the Lipase Engineering Database: a case study of Candida antarctica lipase A. BMC Genomics, (11):123, 2010. [PUMA: imported]

PO Syren, SC Hammer, B Classen, and Bernhard Hauer. Entropy is Key to the Formation of Pentacyclic Terpenoids by Enzyme-Catalyzed Polycyclization. Angew. Chem. Int. Ed., (53):4845 - 4849, 2014. [PUMA: imported]

RT Otto, Uwe Bornscheuer, Holger Scheib, Jürgen Pleiss, C Syldatk, and RD Schmid. Lipase-catalyzed esterification of unusual substrates: synthesis of glucuronic acid and ascorbic acid. Biotechnol Lett, (20):1091 - 1094, 1998. [PUMA: imported]

Jürgen Pleiss. Thermodynamic activity-based progress curve analysis in enzyme kinetics. Trends Biotechnol, (36):234 - 238, 2018. [PUMA: imported]

P Gatti-Lafranconi, A Natalello, Sascha Rehm, SM Doglia, Jürgen Pleiss, and M Lotti. Evolution of stability in a cold-active enzyme elicits specificity relaxation and highlights substrate-related effects on temperature adaptation. J Mol Biol, (395):155 - 166, 2010. [PUMA: imported]

Jürgen Pleiss, and Catharina Zeil. Reply to The Curious Case of TEM-116. Antimicrob Agents Chemother, (60):7001 - 7001, 2016. [PUMA: imported]

M Hutt, Tobias Kulschewski, and Jürgen Pleiss. Molecular modelling of the mass density of single proteins. J Biomol Struct Dyn, (30):318 - 327, 2012. [PUMA: imported]

IK Jozwik, FM Kiss, Lukasz Gricman, A Abdulmughni, E Brill, J Zapp, Jürgen Pleiss, R Bernhardt, and AM Thunnissen. Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium. FEBS J, (283):4128 - 4148, 2016. [PUMA: imported]

Michael Widmann, Jürgen Pleiss, and P Oelschlaeger. Systematic analysis of metallo-b-lactamases using an automated database. Antimicrob Agents Ch, (56):3481 - 3491, 2012. [PUMA: imported]

MM Soumanou, Ulrike Schmid, Uwe Bornscheuer, and RD Schmid. Lipase-katalysierte Synthese von strukturierten Triglyceriden. Schriftenreihe, (10):184 - 190, 1998. [PUMA: imported]

Catharina Zeil, Michael Widmann, Silvia Fademrecht, Constantin Vogel, and Jürgen Pleiss. Microdiversity of TEM β-lactamases: a network analysis of sequence-function relationships and exploration of sequence space. Antimicrob Agents Chemother, (60):2709 - 2717, 2016. [PUMA: imported]

Christine Bathelt, RD Schmid, and Jürgen Pleiss. Regioselectivity of CYP2B6: homology modeling, molecular dynamics simulation, docking. J Mol Model, (8):327 - 335, 2002. [PUMA: imported]

M Wehrmann, P Billard, A Martin-Meriadec, A Zegeye, and Janosch Klebensberger. Functional role of lanthanides in enzymatic activity and transcriptional regulation of PQQ-dependent alcohol dehydrogenases in Pseudomonas putida KT2440. mBIO, 8:e00570-17, 2017. [PUMA: imported]

M Krone, G Reina, C Schulz, Tobias Kulschewski, Jürgen Pleiss, and T Ertl. Interactive Extraction and Tracking of Biomolecular Surface Features. Comput Graph Forum, (32):331 - 340, 2013. [PUMA: imported]

VV Shumyantseva, TV Bulko, TT Bachmann, U Bilitewski, RD Schmid, and AI Archakov. Electrochemical reduction of flavocytochromes 2B4 and 1A2 and their catalytic activity. Arch Biochem Biophys, (377):43 - 48, 2000. [PUMA: imported]

Valerio Ferrario, and Jürgen Pleiss. Simulation of protein diffusion: a sensitive probe of protein-solvent interactions. J Biomol Struct Dyn, 2018. [PUMA: imported]

RC Drees, Jürgen Pleiss, RD Schmid, and D Roller. Integrating molecular modeling tools and virtual reality engines: an architecture for a highly immersive molecular modeling (HIMM) environment. Proceedings of CGI, 391 - 392, 1998. [PUMA: imported]

Alexander Steudle, and Jürgen Pleiss. Modelling of lysozyme binding to a cation exchange surface at atomic detail: the role of flexibility. Biophys.J., (100):3016 - 3024, 2011. [PUMA: imported]