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6 results in Authors: Andreas Krämer

TeachOpenCADD goes Deep Learning: Open-source Teaching Platform Exploring Molecular DL Applications

Michael Backenköhler, Paula Linh Kramer, Joschka Groß, Gerrit Großmann, Roman Joeres, Azat Tagirdzhanov, Dominique Sydow, Hamza Ibrahim, Floriane Odje, Verena Wolf, Andrea Volkamer

Version 1 posted 29 May 2023

662

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Biological and Medicinal Chemistry

Working Paper

From LUVs to GUVs - how to cover micrometer-sized pores with membranes

Kristina Kramer, Merve Sari, Kathrin Schulze, Hendrik Flegel, Miriam Stehr, Ingo Mey, Andreas Janshoff, Claudia Steinem

Version 1 posted 25 August 2022

206

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Physical Chemistry

Working Paper

CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for PE, PG, and Ether Lipids

Yalun Yu, Andreas Kramer, Rick Venable, Bernard Brooks, Jeffery Klauda, Richard W. Pastor

Version 1 posted 30 December 2020

417

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Biological and Medicinal Chemistry

Working Paper

Discovery of Potent Plasmodium falciparum Protein Kinase 6 (PfPK6) Inhibitors with a Type II Inhibitor Pharmacophore

Han Wee Ong, Anna Truong, Frank Kwarcinski, Chandi de Silva, Krisha Avalani, Tammy Havener, Michael Chirgwin, Kareem Galal, Caleb Willis, Andreas Krämer, Shubin Liu, Stefan Knapp, Emily Derbyshire, Reena Zutshi, David Drewry

Version 1 posted 16 June 2022

378

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Biological and Medicinal Chemistry

Working Paper

Discovery of a Potent and Selective Naphthyridine-based Chemical Probe for Casein Kinase 2

Zachary W. Davis-Gilbert, Andreas Krämer, James E. Dunford, Stefanie Howell, Filiz Senbabaoglu, Carrow I. Wells, Tammy M. Havener, Jeffery L. Smith, Mohammad A. Hossain, Udo Oppermann, David H. Drewry, Alison D. Axtman

Version 1 posted 21 December 2022

142

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Physical Chemistry

Working Paper

Semi-Automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

Yalun Yu, Andreas Kramer, Andrew Simmonett, Rick Venable, Alex MacKerell, Jeffery Klauda, Richard W. Pastor, Bernard Brooks

Version 1 posted 30 December 2020

537

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6 results in Andreas Krämer in Authors: Andreas Krämer

TeachOpenCADD goes Deep Learning: Open-source Teaching Platform Exploring Molecular DL Applications

From LUVs to GUVs - how to cover micrometer-sized pores with membranes

CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for PE, PG, and Ether Lipids

Discovery of Potent Plasmodium falciparum Protein Kinase 6 (PfPK6) Inhibitors with a Type II Inhibitor Pharmacophore

Discovery of a Potent and Selective Naphthyridine-based Chemical Probe for Casein Kinase 2

Semi-Automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

6 results in Authors: Andreas Krämer