Showing results (11-20 of 62) with videos related to
Sort By:
Pageof 7
Journal of Chemical Information and Modeling|November 25, 2025
A QM-AI Approach for the Acceleration of Accurate Assessments of Halogen-π Interactions by Training Neural NetworksMarc U Engelhardt, Finn Mier, Markus O Zimmermann, et al.Journal of Chemical Information and Modeling|April 14, 2026
Expanding and Enhancing Neural Network-Based QM-AI Models for the Accurate Prediction of Halogen-π Interaction Energies in Protein ContextsMarc U Engelhardt, Finn Mier, Markus O Zimmermann, et al.Journal of Chemical Theory and Computation|June 9, 2025
Comparison of QM Methods for the Evaluation of Halogen-π Interactions for Large-Scale Data GenerationMarc U Engelhardt, Markus O Zimmermann, Finn Mier, et al.ACS Omega|November 10, 2018
The Symmetric Tetravalent Sulfhydryl-Specific Linker NATBA Facilitates a Combinatorial "Tool Kit" Strategy for Phage Display-Based Selection of Functionalized Bicyclic PeptidesChristoph Ernst, Julia Sindlinger, Dirk Schwarzer, et al.Drug Design, Development and Therapy|January 8, 2020
Small-Molecule Intervention At The Dimerization Interface Of Survivin By Novel Rigidized ScaffoldsTamer M Ibrahim, Christoph Ernst, Andreas Lange, et al.Analytical Biochemistry|March 9, 2016
Fluorescence polarization-based assays for detecting compounds binding to inactive c-Jun N-terminal kinase 3 and p38α mitogen-activated protein kinaseFrancesco Ansideri, Andreas Lange, Ahmed El-Gokha, et al.Journal of Chemical Information and Modeling|May 28, 2013
Evaluation and optimization of virtual screening workflows with DEKOIS 2.0--a public library of challenging docking benchmark setsMatthias R Bauer, Tamer M Ibrahim, Simon M Vogel, et al.Drug Design, Development and Therapy|August 21, 2025
Benchmarking the Structure-Based Virtual Screening Performance of Wild-Type and Resistant <i>Pf</i>DHFR Using Docking and Machine Learning Re-ScoringMenna S Hany, Nermin S Ahmed, Frank M Boeckler, et al.Journal of Cheminformatics|July 12, 2013
Inferring multi-target QSAR models with taxonomy-based multi-task learningLars Rosenbaum, Alexander Dörr, Matthias R Bauer, et al.Journal of Chemical Information and Modeling|October 17, 2013
Targeting histidine side chains in molecular design through nitrogen-halogen bondsAndreas Lange, Markus O Zimmermann, Rainer Wilcken, et al.Pageof 7