Search filters

List of works by Agnes Meyder

A Consistent Scheme for Gradient-Based Optimization of Protein<b>-</b>Ligand Poses

scientific article published on 01 December 2020

Conformator: A Novel Method for the Generation of Conformer Ensembles

scientific article published on 12 February 2019

Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures

scientific article published on 5 October 2017

From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library

scientific article

High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators

scientific article published on 16 February 2017

Large-Scale Analysis of Hydrogen Bond Interaction Patterns in Protein-Ligand Interfaces

scientific article

Prediction of protein mutation effects based on dehydration and hydrogen bonding - A large-scale study

scientific article

ProteinsPlus: a web portal for structure analysis of macromolecules

scientific article

ProteinsPlus: interactive analysis of protein-ligand binding interfaces

scientific article published on 16 April 2020

StructureProfiler: an all-in-one tool for 3D protein structure profiling

scientific article published on 01 March 2019

Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules.

scientific article published on 17 December 2015

Paulina is supported by:

About Paulina

Help