Citation Impact
Citing Papers
Exploiting conformational dynamics to modulate the function of designed proteins
2023 StandoutNobel
Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems
2022 Standout
Modeling the expansion of virtual screening libraries
2023
Modelling proteins’ hidden conformations to predict antibiotic resistance
2016
The isoquinoline PRL-295 increases the thermostability of Keap1 and disrupts its interaction with Nrf2
2021
Expansive discovery of chemically diverse structured macrocyclic oligoamides
2024 StandoutScienceNobel
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
Ensemble Docking in Drug Discovery
2018
On the Interpretation of Force-Induced Unfolding Studies of Membrane Proteins Using Fast Simulations
2019 StandoutNobel
Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’, ‘regulating’, and ‘locking’ the catalytic HNH domain
2018 StandoutNobel
Structural basis of TRPV5 channel inhibition by econazole revealed by cryo-EM
2017
Machine learning-guided engineering of genetically encoded fluorescent calcium indicators
2024 StandoutNobel
Fluorescence nanoscopy in cell biology
2017 StandoutNobel
The neural basis of psychedelic action
2022 Standout
Recent progress in Keap1-Nrf2 protein-protein interaction inhibitors
2020
Explore Protein Conformational Space With Variational Autoencoder
2021
Synthon-based ligand discovery in virtual libraries of over 11 billion compounds
2021 Nature
Nrf2 activation improves experimental rheumatoid arthritis
2023 StandoutNobel
Accelerating Cryptic Pocket Discovery Using AlphaFold
2023
Nanoscopic compartmentalization of membrane protein motion at the axon initial segment
2016
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
Kinetics from Replica Exchange Molecular Dynamics Simulations
2017
Protein Ensemble Generation Through Variational Autoencoder Latent Space Sampling
2024 StandoutNobel
Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein–Protein Interfaces
2020
Contact- and distance-based principal component analysis of protein dynamics
2015
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
PubChem 2023 update
2022 Standout
RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview
2018
Design and optimization of enzymatic activity in a de novo β‐barrel scaffold
2022 StandoutNobel
KEAP1‐NRF2 protein–protein interaction inhibitors: Design, pharmacological properties and therapeutic potential
2022
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics
2018
Nonlinear machine learning in simulations of soft and biological materials
2017
Markov State Models: From an Art to a Science
2018
Investigation of ECD conformational transition mechanism of GLP-1R by molecular dynamics simulations and Markov state model
2019
Structural insight into TRPV5 channel function and modulation
2019 StandoutNobel
PubChem in 2021: new data content and improved web interfaces
2020 Standout
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 Moritz Hoffmann being referenced
An open-source drug discovery platform enables ultra-large virtual screens
2020 Nature
PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models
2015