Citation Impact
Citing Papers
Characterizing and explaining the impact of disease-associated mutations in proteins without known structures or structural homologs
2022 StandoutNobel
Protein model quality assessment using 3D oriented convolutional neural networks
2019
ProtGPT2 is a deep unsupervised language model for protein design
2022
Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
2021 StandoutNobel
Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations
2017
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
2021 Standout
Discovery of archaeal fusexins homologous to eukaryotic HAP2/GCS1 gamete fusion proteins
2022 StandoutNobel
Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview
2018
Ensemble Docking in Drug Discovery
2018
Machine learning in protein structure prediction
2021
Molecular Dynamics Simulation for All
2018 Standout
Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’, ‘regulating’, and ‘locking’ the catalytic HNH domain
2018 StandoutNobel
Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor
2018 Nature
Improved protein structure refinement guided by deep learning based accuracy estimation
2021 StandoutNobel
A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics
2017
P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure
2018
Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics Simulations
2016
Development of therapeutic antibodies for the treatment of diseases
2020 Standout
Computational approaches to predict protein functional families and functional sites
2021
Recent advances in dynamic docking for drug discovery
2017
PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models
2015
Quantifying the Dynamics of Protein Self-Organization Using Deep Learning Analysis of Atomic Force Microscopy Data
2020 StandoutNobel
Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations
2017
More bang for your buck: Improved use of GPU nodes for GROMACS 2018
2019
Ion-dependent protein–surface interactions from intrinsic solvent response
2021 StandoutNobel
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview
2018
Dynamic Docking: A Paradigm Shift in Computational Drug Discovery
2017
Deep convolutional networks for quality assessment of protein folds
2018
Role of Molecular Dynamics and Related Methods in Drug Discovery
2016
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics
2018
ChatGPT: A comprehensive review on background, applications, key challenges, bias, ethics, limitations and future scope
2023 Standout
Markov State Models: From an Art to a Science
2018
Disentangling Rotational Dynamics and Ordering Transitions in a System of Self-Organizing Protein Nanorods via Rotationally Invariant Latent Representations
2021 StandoutNobel
Improving the Efficiency of Ligand-Binding Protein Design with Molecular Dynamics Simulations
2019 StandoutNobel
Works of Stefan Doerr being referenced
Complete protein–protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling
2017
TorchMD: A Deep Learning Framework for Molecular Simulations
2021
DeepSite: protein-binding site predictor using 3D-convolutional neural networks
2017
HTMD: High-Throughput Molecular Dynamics for Molecular Discovery
2016
On-the-Fly Learning and Sampling of Ligand Binding by High-Throughput Molecular Simulations
2014