Christian C. Gruber

发表

Systematic benchmarking of large molecular dynamics simulations employing GROMACS on massive multiprocessing facilities

Jürgen Pleiss, Christian C. Gruber, 2011, J. Comput. Chem..

The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes

Christian C. Gruber, G. A. Bezerra, I. Dreveny, 2012, Biochimica et biophysica acta.

Optimization of Reaction Parameters and Cultivation Conditions for Biocatalytic Hydrogen Transfer Employing Overexpressed ADH‐‘A’ from Rhodococcus ruber DSM 44541 in E. coli

Christian C. Gruber, W. Kroutil, K. Faber, 2006 .

Biocatalytic deuterium- and hydrogen-transfer using over-expressed ADH-'A': enhanced stereoselectivity and 2H-labeled chiral alcohols.

Christian C. Gruber, W. Kroutil, K. Faber, 2006, Chemical communications.

Biocatalytic deuterium- and hydrogen-transfer using over-expressed ADH-‘A’: enhanced stereoselectivity and 2H-labeled chiral alcohols

Christian C. Gruber, W. Kroutil, K. Faber, 2006 .

Orchestration of concurrent oxidation and reduction cycles for stereoinversion and deracemisation of sec-alcohols.

Wolfgang Kroutil, Constance V. Voss, Kurt Faber, 2008, Journal of the American Chemical Society.

The 2.5 Å Structure of the Enterococcus Conjugation Protein TraM resembles VirB8 Type IV Secretion Proteins

Walter Keller, Karl Gruber, Elisabeth Grohmann, 2012, The Journal of Biological Chemistry.

Lipase B from Candida antarctica binds to hydrophobic substrate–water interfaces via hydrophobic anchors surrounding the active site entrance

Christian C. Gruber, J. Pleiss, C. Gruber, 2012 .

Identification of promiscuous ene-reductase activity by mining structural databases using active site constellations

Georg Steinkellner, Karl Gruber, Kurt Faber, 2014, Nature Communications.

A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening

Yurii S. Moroz, Christian C. Gruber, R. Davey, 2021, iScience.

A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening

Yurii S. Moroz, Christian C. Gruber, R. Davey, 2020, ChemRxiv : the preprint server for chemistry.

An algorithm for the deconvolution of mass spectroscopic patterns in isotope labeling studies. Evaluation for the hydrogen-deuterium exchange reaction in ketones.

Christian C. Gruber, G. Oberdorfer, J. Kremsner, 2007, The Journal of organic chemistry.

Wuhan coronavirus 2019-nCoV – what we can find out on a structural bioinformatics level

Christian C. Gruber, G. Steinkellner, 2020 .

Recent changes in the mutational dynamics of the SARS-CoV-2 main protease substantiate the danger of emerging resistance to antiviral drugs

Ashutosh Kumar Singh, Christian C. Gruber, K. Gruber, 2022, Frontiers in Medicine.

Molecular modeling of lipase binding to a substrate-water interface.

Christian C. Gruber, J. Pleiss, C. Gruber, 2012, Methods in molecular biology.

Deracemization of secondary alcohols through a concurrent tandem biocatalytic oxidation and reduction.

Christian C. Gruber, W. Kroutil, C. Voss, 2008, Angewandte Chemie.

Non‐Racemic Halohydrins via Biocatalytic Hydrogen‐Transfer Reduction of Halo‐Ketones and One‐Pot Cascade Reaction to Enantiopure Epoxides

Christian C. Gruber, U. Bornscheuer, W. Kroutil, 2005 .

From a Racemate to a Single Enantiomer: Deracemization by Stereoinversion

Christian C. Gruber, W. Kroutil, K. Faber, 2006 .

Emulation of racemase activity by employing a pair of stereocomplementary biocatalysts.

Christian C. Gruber, U. Bornscheuer, B. Nestl, 2007, Chemistry.

A biocatalytic one-pot oxidation/reduction sequence for the deracemisation of a sec-alcohol

Christian C. Gruber, W. Kroutil, C. Voss, 2007 .

Photophysical properties of some poly(siloxane–azomethine)s

Christian C. Gruber, M. Cazacu, A. Airinei, 2015 .

Biocatalytic racemization of α-hydroxycarboxylic acids using a stereo-complementary pair of α-hydroxycarboxylic acid dehydrogenases

S. M. Glueck, Christian C. Gruber, B. Nestl, 2009 .