Gesellschaft Deutscher Chemiker
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Pressemitteilungen

ChemRxiv: Preprint-Publikationen

Oliver Kuehn · Tolibjon Abdurakhmonov

Interlayer Force Field for the Anisotropic Interaction between Planar Organic Molecules and Two-dimensional Hexagonal Boron Nitride

Yan Jun Lin · Izabella Komperda

Biomimetic Targeting and Autonomous Optimization in Nanomedicine

E. James Petersson · Ryann Perez et al.

Radiotracer Competition Binding Experiments with α-Synuclein Fibrils Reveal Insights into Designs for Ligand Specificity

Sereina Riniker · Moritz Thürlemann et al.

Biomolecular Multiscale Simulation (BMS25) Dataset to Train Neural Network Potentials for QM/MM Settings with Electrostatic Embedding

Oliver Kuehn · Tolibjon Abdurakhmonov

Interlayer Force Field for the Anisotropic Interaction between Planar Organic Molecules and Two-dimensional Hexagonal Boron Nitride

Yan Jun Lin · Izabella Komperda

Biomimetic Targeting and Autonomous Optimization in Nanomedicine

E. James Petersson · Ryann Perez et al.

Radiotracer Competition Binding Experiments with α-Synuclein Fibrils Reveal Insights into Designs for Ligand Specificity

Sereina Riniker · Moritz Thürlemann et al.

Biomolecular Multiscale Simulation (BMS25) Dataset to Train Neural Network Potentials for QM/MM Settings with Electrostatic Embedding

Qianqian Wang · Xiongjie Xiao et al.

SOPPCL: Sequence-based Order Parameter Prediction with Contrastive Learning

Qianqian Wang · Xiongjie Xiao et al.

Self-training Improves Prediction of NMR Order Parameters

Gauthier Deblonde · Ian Colliard

Wells-Dawson Polyoxometalate Complexes with Actinides (Part 2): Californium.

Gauthier Deblonde · Ian Colliard

Wells-Dawson Polyoxometalate Complexes with Actinides (Part 1): Americium and Curium

Nobutaka Fujieda · Koki Matsumoto et al.

Rational Design of a Ruthenium–Cupin Complex as an Artificial Ketone Reductase with High Hydride-Coupling Efficiency

Yihan Shao · Carly Wickizer et al.

A Computational Modeling of ADLumin Chemiluminescence: Oxygenation and Dioxetanone Formation