Citation Impact
Citing Papers
ER Tubules Mark Sites of Mitochondrial Division
2011 StandoutScience
Sleep Drives Metabolite Clearance from the Adult Brain
2013 StandoutScience
Interface chemistry of conductive crystalline porous thin films
2023 StandoutNobel
Let’s not forget tautomers
2009
Absolute binding free energy calculations: On the accuracy of computational scoring of protein–ligand interactions
2010 StandoutNobel
Supramolecular Binding Thermodynamics by Dispersion‐Corrected Density Functional Theory
2012 Standout
Multistage Nanoparticles for Improved Delivery into Tumor Tissue
2012 StandoutNobel
QM/MM Approaches in Medicinal Chemistry Research
2010
Spatial Fluctuations of Fluid Velocities in Flow through a Three-Dimensional Porous Medium
2013
Probing Bioinspired Transport of Nanoparticles into Polymersomes
2012
Structural Basis of Interprotofilament Interaction and Lateral Deformation of Microtubules
2010
A structure-based computational workflow to predict liability and binding modes of small molecules to hERG
2020 StandoutNobel
Recent advances in MMP inhibitor design
2006
Pore-scale modeling of dispersion in disordered porous media
2011
Fluorescent Nanorods and Nanospheres for Real‐Time In Vivo Probing of Nanoparticle Shape‐Dependent Tumor Penetration
2011 StandoutNobel
Multiscale Measurements Distinguish Cellular and Interstitial Hindrances to Diffusion In Vivo
2009
High-Resolution Microtubule Structures Reveal the Structural Transitions in αβ-Tubulin upon GTP Hydrolysis
2014 StandoutNobel
Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go
2007
A Simple Enantioconvergent and Chemoenzymatic Synthesis of Optically Active α‐Substituted Amides
2011 StandoutNobel
Angiotensin inhibition enhances drug delivery and potentiates chemotherapy by decompressing tumour blood vessels
2013 StandoutNobel
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
2015 Standout
Curvature and spatial organization in biological membranes
2006
A Nanoparticle Size Series for In Vivo Fluorescence Imaging
2010 StandoutNobel
Diffusion in Brain Extracellular Space
2008
Diffusion Anisotropy in Collagen Gels and Tumors: The Effect of Fiber Network Orientation
2010
Liposomes as nanomedical devices
2015 Standout
Rapid formation of plasma protein corona critically affects nanoparticle pathophysiology
2013 Standout
The MM2QM tool for combining docking, molecular dynamics, molecular mechanics, and quantum mechanics†
2012
Influence of Stagnant Zones on Transient and Asymptotic Dispersion in Macroscopically Homogeneous Porous Media
2002
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
2009 Standout
Normalization of tumour blood vessels improves the delivery of nanomedicines in a size-dependent manner
2012 StandoutNobel
Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
2011 Standout
Delivering nanomedicine to solid tumors
2010 Standout
Lipid Polymorphisms and Membrane Shape
2011
On-the-Fly QM/MM Docking with Attracting Cavities
2016
Micelle-Encapsulated Quantum Dot-Porphyrin Assemblies as in Vivo Two-Photon Oxygen Sensors
2015 StandoutNobel
ER sliding dynamics and ER–mitochondrial contacts occur on acetylated microtubules
2010
The ORCA quantum chemistry program package
2020 Standout
Supramolecular Lattice Deformation and Exciton Trapping in Nanotubular J-Aggregates
2022 StandoutNobel
Pore-scale imaging and modelling
2012 Standout
The MARTINI Coarse-Grained Force Field: Extension to Proteins
2008 Standout
Two-Photon Oxygen Sensing with Quantum Dot-Porphyrin Conjugates
2013 StandoutNobel
Digital twin modeling
2022 Standout
Near‐Unity Superradiant Emission from Delocalized Frenkel Excitons in a Two‐Dimensional Supramolecular Assembly
2022 StandoutNobel
Sensitivity of pore‐scale dispersion to the construction of random bead packs
2008
Lattice-Boltzmann studies of fluid flow in porous media with realistic rock geometries
2009
MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
2012 Standout
Molecular Docking and Structure-Based Drug Design Strategies
2015 Standout
A Paravascular Pathway Facilitates CSF Flow Through the Brain Parenchyma and the Clearance of Interstitial Solutes, Including Amyloid β
2012 Standout
Early Work on Defect Driven Phase Transitions
2016 StandoutNobel
PIVlab – Towards User-friendly, Affordable and Accurate Digital Particle Image Velocimetry in MATLAB
2014 Standout
ZINC: A Free Tool to Discover Chemistry for Biology
2012 Standout
Photochemical Control of Exciton Superradiance in Light-Harvesting Nanotubes
2018 StandoutNobel
Reversible and irreversible dispersion in a porous medium
2003
A Comprehensive Computational Analysis for the Binding Modes of Hepatitis C Virus NS5A Inhibitors: The Question of Symmetry
2016 StandoutNobel
Numerical Simulation of Dense Gas-Solid Fluidized Beds: A Multiscale Modeling Strategy
2008
Impairment of paravascular clearance pathways in the aging brain
2014 Standout
Hyporheic flow and transport processes: Mechanisms, models, and biogeochemical implications
2014 Standout
Generating digital twins of mesoporous silica by graph-based stochastic microstructure modeling
2020
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
Protein–Ligand Interaction Energies with Dispersion Corrected Density Functional Theory and High-Level Wave Function Based Methods
2011
Metal–ligand interactions in drug design
2018
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1–86)
2017 Standout
A lipid bound actin meshwork organizes liquid phase separation in model membranes
2014 StandoutNobel
Direct simulation of pore level Fickian dispersion scale for transport through dense cubic packed spheres with vortices
2009
The statistical mechanics of membranes
2001
Pore‐scale modeling of longitudinal dispersion
2004
QM/MM As a Tool in Fragment Based Drug Discovery. A Cross-Docking, Rescoring Study of Kinase Inhibitors
2009
Multistage nanoparticle delivery system for deep penetration into tumor tissue
2011 StandoutNobel
Molecular Docking: Challenges, Advances and its Use in Drug Discovery Perspective
2018 Standout
The Longitudinal Dispersion Coefficient of Soils as Related to the Variability of Local Permeability
2007
Biological and synthetic membranes: What can be learned from a coarse-grained description?
2006
Reactive Oxygen Species (ROS)-Based Nanomedicine
2019 Standout
A practical guide to giant vesicles. Probing the membrane nanoregime via optical microscopy
2006
Delivery of Molecular and Nanoscale Medicine to Tumors: Transport Barriers and Strategies
2011
Calculation of Protein-Ligand Binding Affinities
2007
The restaurant at the end of the random walk: recent developments in the description of anomalous transport by fractional dynamics
2004 Standout
Simulation of Flow and Dispersion on Pore-Space Images
2010
Physics-based methods for studying protein-ligand interactions.
2007
A Nanoparticle Size Series for In Vivo Fluorescence Imaging
2010 StandoutNobel
Knudsen self- and Fickian diffusion in rough nanoporous media
2003
NMR investigations of correlations between longitudinal and transverse displacements in flow through random structured media
2002
Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology
2012 Standout
A Medicinal Chemist’s Guide to Molecular Interactions
2010 Standout
Discrete particle simulation of particulate systems: A review of major applications and findings
2008 Standout
Generalized Kasha’s Model: T-Dependent Spectroscopy Reveals Short-Range Structures of 2D Excitonic Systems
2019 StandoutNobel
A multi‐scale investigation of interfacial transport, pore fluid flow, and fine particle deposition in a sediment bed
2010
Simulation of Flow and Dispersion on Pore-Space Images
2012
Works of Daniel M. Kroll being referenced
Analysis of Microtubule Curvature
2007
Advanced Flicker Spectroscopy of Fluid Membranes
2003
Three-Dimensional Modeling of the Brain's ECS by Minimum Configurational Energy Packing of Fluid Vesicles
2007
Simulation of Packed-Bed Chromatography Utilizing High-Resolution Flow Fields: Comparison with Models
2002
Pore-scale simulation of dispersion
2000
Anterograde Microtubule Transport Drives Microtubule Bending in LLC-PK1 Epithelial Cells
2009
Simulation of Flow in Bidisperse Sphere Packings
1999
A Combination of Docking, QM/MM Methods, and MD Simulation for Binding Affinity Estimation of Metalloprotein Ligands
2005
Simulation‐Based Predictions of Binding Affinities of Matrix Metalloproteinase Inhibitors
2004
Fluctuations of polymerized, fluid and hexatic membranes: Continuum models and simulations
1997
Hydrodynamic dispersion in confined packed beds
2003
A Comparison of the Binding Sites of Matrix Metalloproteinases and Tumor Necrosis Factor-α Converting Enzyme: Implications for Selectivity
2005
Monte Carlo simulations of complex formation between a mixed fluid vesicle and a charged colloid
2009
Ensemble Brightening and Enhanced Quantum Yield in Size-Purified Silicon Nanocrystals
2012