Search

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

449

Downloads

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

563

Downloads

Biological and Medicinal Chemistry

Working Paper

More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5-a]pyrimidine Host CSNK2 Inhibitors for Combatting β-Coronavirus Replication

Han Wee Ong, Xuan Yang, Jeffery Smith, Rebekah Dickmander, Jason Brown, Tammy Havener, Sharon Taft-Benz, Stefanie Howell, Marcia Sanders, Jacob Capener, Rafael Couñago, Edcon Chang, Andreas Krämer, Nathaniel Moorman, Mark Heise, Alison Axtman, David Drewry, Timothy Willson

Version 1 posted 24 April 2024

187

Downloads

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

240

Downloads

Biological and Medicinal Chemistry

Working Paper

Strategic Fluorination to Achieve a Potent, Selective, Metabolically-Stable, and Orally-Bioavailable Inhibitor of CSNK2.

Han Wee Ong, Xuan Yang, Jeffery Smith, Sharon Taft-Benz, Stefanie Howell, Rebekah Dickmander, Tammy Havener, Marcia Sanders, Jason Brown, Rafael Couñago, Edcon Chang, Andreas Krämer, Nathaniel Moorman, Mark Heise, Alison Axtman, David Drewry, Timothy Willson

Version 1 posted 22 July 2024

78

Downloads

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

168

Downloads

Biological and Medicinal Chemistry

Working Paper

Nucleobase catalysts for the enzymatic activation of 8-oxoguanine DNA glycosylase 1

Emily C. Hank, Nicholas D'Arcy-Evans, Emma Rose Scaletti, Carlos Benítez-Buelga, Olov Wallner, Florian Ortis, Kaixin Zhou, Liuzhen Meng, Patricia Calvo, Ingrid Almlöf, Elisée Wiita, Sara Kosenina, Andreas Krämer, Maeve Long, Ann-Sofie Jemth, Holly Dawson, Josephine Stewart, Adam Dickey, Mikhael E. Astorga, Marek Varga, Evert J Homan, Martin Scobie, Stefan Knapp, Miguel de Vega, Leandro Sastre, Pål Stenmark, Thomas Helleday, Maurice Michel

Version 3 posted 10 May 2024

461

Downloads

Theoretical and Computational Chemistry

Working Paper

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

759

Downloads

2

Citations

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

426

Downloads

Refine Search

9 results in Andreas Krämer in Authors: Andreas Krämer

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

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

More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5-a]pyrimidine Host CSNK2 Inhibitors for Combatting β-Coronavirus Replication

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

Strategic Fluorination to Achieve a Potent, Selective, Metabolically-Stable, and Orally-Bioavailable Inhibitor of CSNK2.

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

Nucleobase catalysts for the enzymatic activation of 8-oxoguanine DNA glycosylase 1

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

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

9 results in Authors: Andreas Krämer