Works by König, Gerhard

Results: 28

E-LEARNING IN PHOTOGRAMMETRY, REMOTE SENSING AND SPATIAL INFORMATION SCIENCE.

Published in:

International Archives of the Photogrammetry, Remote Sensing & Spatial Information Sciences, 2016, v. 41, n. B6, p. 45, doi. 10.5194/isprsarchives-XLI-B6-45-2016

By:

Anjana, Vyas;
Gerhard, König

Publication type:

Article

Pharmacological and behavioral profile of N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-6-chinolincarboxamide (EVP-5141), a novel α7 nicotinic acetylcholine receptor agonist/serotonin 5-HT receptor antagonist.

Published in:

Psychopharmacology, 2013, v. 227, n. 1, p. 1, doi. 10.1007/s00213-012-2933-4

By:

Boess, Frank;
Vry, Jean;
Erb, Christina;
Flessner, Timo;
Hendrix, Martin;
Luithle, Joachim;
Methfessel, Christoph;
Schnizler, Katrin;
Staay, F.;
Kampen, Marja;
Wiese, Welf-Burkhard;
König, Gerhard

Publication type:

Article

Cover Feature: Concentration‐Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering (ChemSusChem 8/2023).

Published in:

ChemSusChem, 2023, v. 16, n. 8, p. 1, doi. 10.1002/cssc.202300472

By:

Avilan, Luisana;
Lichtenstein, Bruce R.;
König, Gerhard;
Zahn, Michael;
Allen, Mark D.;
Oliveira, Liliana;
Clark, Matilda;
Bemmer, Victoria;
Graham, Rosie;
Austin, Harry P.;
Dominick, Graham;
Johnson, Christopher W.;
Beckham, Gregg T.;
McGeehan, John E.;
Pickford, Andrew R.

Publication type:

Article

Concentration‐Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.

Published in:

ChemSusChem, 2023, v. 16, n. 8, p. 1, doi. 10.1002/cssc.202202277

By:

Avilan, Luisana;
Lichtenstein, Bruce R.;
König, Gerhard;
Zahn, Michael;
Allen, Mark D.;
Oliveira, Liliana;
Clark, Matilda;
Bemmer, Victoria;
Graham, Rosie;
Austin, Harry P.;
Dominick, Graham;
Johnson, Christopher W.;
Beckham, Gregg T.;
McGeehan, John E.;
Pickford, Andrew R.

Publication type:

Article

Front Cover: Comparative Performance of PETase as a Function of Reaction Conditions, Substrate Properties, and Product Accumulation (ChemSusChem 1/2022).

Published in:

ChemSusChem, 2022, v. 15, n. 1, p. 1, doi. 10.1002/cssc.202102518

By:

Erickson, Erika;
Shakespeare, Thomas J.;
Bratti, Felicia;
Buss, Bonnie L.;
Graham, Rosie;
Hawkins, McKenzie A.;
König, Gerhard;
Michener, William E.;
Miscall, Joel;
Ramirez, Kelsey J.;
Rorrer, Nicholas A.;
Zahn, Michael;
Pickford, Andrew R.;
McGeehan, John E.;
Beckham, Gregg T.

Publication type:

Article

Comparative Performance of PETase as a Function of Reaction Conditions, Substrate Properties, and Product Accumulation.

Published in:

ChemSusChem, 2022, v. 15, n. 1, p. 1, doi. 10.1002/cssc.202101932

By:

Erickson, Erika;
Shakespeare, Thomas J.;
Bratti, Felicia;
Buss, Bonnie L.;
Graham, Rosie;
Hawkins, McKenzie A.;
König, Gerhard;
Michener, William E.;
Miscall, Joel;
Ramirez, Kelsey J.;
Rorrer, Nicholas A.;
Zahn, Michael;
Pickford, Andrew R.;
McGeehan, John E.;
Beckham, Gregg T.

Publication type:

Article

Comparative Performance of PETase as a Function of Reaction Conditions, Substrate Properties, and Product Accumulation.

Published in:

ChemSusChem, 2022, v. 15, n. 1, p. 1, doi. 10.1002/cssc.202101932

By:

Erickson, Erika;
Shakespeare, Thomas J.;
Bratti, Felicia;
Buss, Bonnie L.;
Graham, Rosie;
Hawkins, McKenzie A.;
König, Gerhard;
Michener, William E.;
Miscall, Joel;
Ramirez, Kelsey J.;
Rorrer, Nicholas A.;
Zahn, Michael;
Pickford, Andrew R.;
McGeehan, John E.;
Beckham, Gregg T.

Publication type:

Article

Combination of novel α7 Nicotinic acetylcholine receptor agonists with existing alzheimer's treatments

Published in:

2011

By:

van Goethem, Nick;
Prickaerts, Jos;
Gawryl, Maria;
Hilt, Dana;
König, Gerhard

Publication type:

Abstract

A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes.

Published in:

Molecules, 2018, v. 23, n. 10, p. 2695, doi. 10.3390/molecules23102695

By:

König, Gerhard;
Pickard IV, Frank C.;
Huang, Jing;
Thiel, Walter;
MacKerell, Alexander D.;
Brooks, Bernard R.;
York, Darrin M.;
Lin, Hai;
Truhlar, Donald G.

Publication type:

Article

Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure.

Published in:

Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 2, p. 117, doi. 10.1007/s10822-021-00436-z

By:

Ries, Benjamin;
Normak, Karl;
Weiß, R. Gregor;
Rieder, Salomé;
Barros, Emília P.;
Champion, Candide;
König, Gerhard;
Riniker, Sereina

Publication type:

Article

Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge.

Published in:

Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 11, p. 989, doi. 10.1007/s10822-016-9936-x

By:

König, Gerhard;
Pickard, Frank;
Huang, Jing;
Simmonett, Andrew;
Tofoleanu, Florentina;
Lee, Juyong;
Prasad, Samarjeet;
Jones, Michael;
Shao, Yihan;
Brooks, Bernard;
Dral, Pavlo;
Thiel, Walter

Publication type:

Article

Absolute binding free energies for octa-acids and guests in SAMPL5.

Published in:

Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 1, p. 107, doi. 10.1007/s10822-016-9965-5

By:

Tofoleanu, Florentina;
Lee, Juyong;
Pickard IV, Frank;
König, Gerhard;
Huang, Jing;
Baek, Minkyung;
Seok, Chaok;
Brooks, Bernard

Publication type:

Article

Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge.

Published in:

Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 1, p. 71, doi. 10.1007/s10822-016-9968-2

By:

Lee, Juyong;
Tofoleanu, Florentina;
Pickard, Frank;
König, Gerhard;
Huang, Jing;
Damjanović, Ana;
Baek, Minkyung;
Seok, Chaok;
Brooks, Bernard

Publication type:

Article

Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and p K corrections.

Published in:

Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 11, p. 1087, doi. 10.1007/s10822-016-9955-7

By:

König, Gerhard;
Pickard, Frank;
Tofoleanu, Florentina;
Lee, Juyong;
Simmonett, Andrew;
Brooks, Bernard;
Shao, Yihan;
Ponder, Jay

Publication type:

Article

Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 3, p. 245, doi. 10.1007/s10822-014-9708-4

By:

König, Gerhard;
Pickard, Frank;
Mei, Ye;
Brooks, Bernard

Publication type:

Article

Predicting binding affinities of host-guest systems in the SAMPL3 blind challenge: the performance of relative free energy calculations.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 5, p. 543, doi. 10.1007/s10822-011-9525-y

By:

König, Gerhard;
Brooks, Bernard

Publication type:

Article

n‐Butanol: An Ecologically and Economically Viable Extraction Solvent for Isolating Polar Products from Aqueous Solutions.

Published in:

European Journal of Organic Chemistry, 2021, v. 2021, n. 46, p. 6224, doi. 10.1002/ejoc.202100829

By:

Reetz, Manfred T.;
König, Gerhard

Publication type:

Article

On the convergence of multi-scale free energy simulations.

Published in:

Molecular Simulation, 2018, v. 44, n. 13/14, p. 1062, doi. 10.1080/08927022.2018.1475741

By:

König, Gerhard;
Brooks, Bernard R.;
Thiel, Walter;
York, Darrin M.

Publication type:

Article

Testing and Optimizing the Drude Polarizable Force Field for Blocked Amino Acids Based on High-Level Quantum-Mechanical Energy Surfaces.

Published in:

Journal of Computational Biophysics & Chemistry, 2022, v. 21, n. 4, p. 405, doi. 10.1142/S2737416521420023

By:

Chen, Jinfeng;
König, Gerhard

Publication type:

Article

Implantierbare Mikrodosierpumpe.

Published in:

Biomedical Engineering / Biomedizinische Technik, 1990, v. 35, p. 226, doi. 10.1515/bmte.1990.35.s3.226

By:

Klaus, Forke;
Jürgen, Uhlemann;
Petrick, Lange;
Thomas, Wetzig;
Gerhard, König

Publication type:

Article

ONLINE EDUCA BERLIN 2013: Wieder mehr als 2000 Teilnehmer.

Published in:

Information -- Wissenschaft und Praxis, 2014, v. 65, n. 2, p. 137, doi. 10.1515/iwp-2014-0016

By:

König, Gerhard

Publication type:

Article

Simulation and the Problem of Simplification.

Published in:

Philosophy & Technology, 2013, v. 26, n. 1, p. 81, doi. 10.1007/s13347-012-0078-3

By:

König, Gerhard

Publication type:

Article

Expression of L-APP mRNA in Brain Cells.

Published in:

Annals of the New York Academy of Sciences, 1993, v. 695, n. 1, p. 183, doi. 10.1111/j.1749-6632.1993.tb23049.x

By:

SANDBRINK, RUPERT;
BANATI, RICHARD;
MASTERS, COLIN L.;
BEYREUTHER, KONRAD;
KÖNIG, GERHARD

Publication type:

Article

Regulation and Expression of the Alzheimer's β/A4 Amyloid Protein Precursor in Health, Disease, and Down's Syndrome.

Published in:

Annals of the New York Academy of Sciences, 1993, v. 695, n. 1, p. 91, doi. 10.1111/j.1749-6632.1993.tb23035.x

By:

BEYREUTHER, KONRAD;
POLLWEIN, PETER;
MULTHAUP, GERD;
MÖNNING, URSULA;
KÖNIG, GERHARD;
DYRKS, THOMAS;
SCHUBERT, WALTER;
MASTERS, COLIN L.

Publication type:

Article

Investigation of the Impact of Saccharides on the Relative Activity of Trypsin and Catalase after Droplet and Spray Drying.

Published in:

Pharmaceutics, 2023, v. 15, n. 10, p. 2504, doi. 10.3390/pharmaceutics15102504

By:

Dieplinger, Johanna;
Moser, Christina;
König, Gerhard;
Pinto, Joana T.;
Paudel, Amrit

Publication type:

Article

Non-Boltzmann sampling and Bennett's acceptance ratio method: How to profit from bending the rules.

Published in:

Journal of Computational Chemistry, 2011, v. 32, n. 6, p. 1082, doi. 10.1002/jcc.21687

By:

König, Gerhard;
Boresch, Stefan

Publication type:

Article

Unorthodox uses of Bennett's acceptance ratio method.

Published in:

Journal of Computational Chemistry, 2009, v. 30, n. 11, p. 1712, doi. 10.1002/jcc.21255

By:

KÖNIG, GERHARD;
BRUCKNER, STEFAN;
BORESCH, STEFAN

Publication type:

Article

Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-35237-x

By:

Erickson, Erika;
Gado, Japheth E.;
Avilán, Luisana;
Bratti, Felicia;
Brizendine, Richard K.;
Cox, Paul A.;
Gill, Raj;
Graham, Rosie;
Kim, Dong-Jin;
König, Gerhard;
Michener, William E.;
Poudel, Saroj;
Ramirez, Kelsey J.;
Shakespeare, Thomas J.;
Zahn, Michael;
Boyd, Eric S.;
Payne, Christina M.;
DuBois, Jennifer L.;
Pickford, Andrew R.;
Beckham, Gregg T.

Publication type:

Article