Standout Papers
- Ion-dependent protein–surface interactions from intrinsic solvent response (2021)
- Sequence–Structure–Binding Relationships Reveal Adhesion Behavior of the Car9 Solid-Binding Peptide: An Integrated Experimental and Simulation Study (2020)
- Quantifying the Dynamics of Protein Self-Organization Using Deep Learning Analysis of Atomic Force Microscopy Data (2020)
Citation Impact
Citing Papers
Self-assembled mRNA vaccines
2021
Isoreticular Metal–Organic Frameworks Confined Mononuclear Ru-Hydrides Enable Highly Efficient Shape-Selective Hydrogenolysis of Polyolefins
2023
Formation, chemical evolution and solidification of the dense liquid phase of calcium (bi)carbonate
2024 StandoutNobel
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
2021 Standout
The role of liquid–liquid phase separation in aggregation of the TDP-43 low-complexity domain
2019 Standout
Directing polymorph specific calcium carbonate formation with de novo protein templates
2023 StandoutNobel
Biomolecular condensates: organizers of cellular biochemistry
2017 Standout
Hydrophobic mismatch drives self-organization of designer proteins into synthetic membranes
2024 StandoutNobel
Optimal Identification of Semi-Rigid Domains in Macromolecules from Molecular Dynamics Simulation
2010
Lipid nanoparticles for mRNA delivery
2021 Standout
Hydroxycholesterol substitution in ionizable lipid nanoparticles for mRNA delivery to T cells
2022 StandoutNobel
Plant–microbiome interactions: from community assembly to plant health
2020 Standout
Mechanotransduction and extracellular matrix homeostasis
2014 Standout
Accurate calculation of side chain packing and free energy with applications to protein molecular dynamics
2018 StandoutNobel
Rapid atom-efficient polyolefin plastics hydrogenolysis mediated by a well-defined single-site electrophilic/cationic organo-zirconium catalyst
2022
Multiscale modeling of biological functions
2011 StandoutNobel
New Insights into the Mechanisms of Cytomotive Actin and Tubulin Filaments
2011
New horizons in the extraction of bioactive compounds using deep eutectic solvents: A review
2017 Standout
Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’, ‘regulating’, and ‘locking’ the catalytic HNH domain
2018 StandoutNobel
mRNA vaccines for infectious diseases: principles, delivery and clinical translation
2021 StandoutNobel
ALS Mutations Disrupt Phase Separation Mediated by α-Helical Structure in the TDP-43 Low-Complexity C-Terminal Domain
2016
Systematic multiscale simulation of membrane protein systems
2009
Environmental factors influencing the development and spread of antibiotic resistance
2017 Standout
Nucleotide-Dependent Lateral and Longitudinal Interactions in Microtubules
2013
Hydrogen Activation by Frustrated Lewis Pairs: Insights from Computational Studies
2013
High-Resolution Microtubule Structures Reveal the Structural Transitions in αβ-Tubulin upon GTP Hydrolysis
2014 StandoutNobel
The mystery of membrane organization: composition, regulation and roles of lipid rafts
2017 Standout
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
2017 Standout
Coarse‐grained modeling of conformational transitions underlying the processive stepping of myosin V dimer along filamentous actin
2011
Frustrated Lewis Pair Chemistry: Development and Perspectives
2015 Standout
A multiscale coarse-grained model of the SARS-CoV-2 virion
2020
Multiscale molecular modeling can be an effective tool to aid the development of biomass conversion technology: A perspective
2014
Electrostatic origin of the unidirectionality of walking myosin V motors
2013 StandoutNobel
Impacts of uncertain feedstock quality on the economic feasibility of fast pyrolysis biorefineries with blended feedstocks and decentralized preprocessing sites in the Southeastern United States
2020
Emerging Engineered Wood for Building Applications
2022 Standout
Metadynamics
2011
Artificial neural network based optimization for hydrogen purification performance of pressure swing adsorption
2018
Detailed kinetic mechanism of gas-phase reactions of volatiles released from biomass pyrolysis
2016
Self-healing polymers
2020 Standout
Structure and Nanostructure in Ionic Liquids
2015 Standout
Computer Simulation of Liquids
2017 Standout
Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H2 Activation and the Role of Acid−Base Properties
2009
The Theory of Ultra-Coarse-Graining. 1. General Principles
2013
Chemicals from lignin: an interplay of lignocellulose fractionation, depolymerisation, and upgrading
2018 Standout
Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration
2013
Cryo-EM structure of the mechanically activated ion channel OSCA1.2
2018 StandoutNobel
Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint
2016
Coarse-Graining Methods for Computational Biology
2013
Pyrolytic Depolymerization of Polyolefins Catalysed by Zirconium‐based UiO‐66 Metal–Organic Frameworks
2024 StandoutNobel
Accuracy of Current All-Atom Force-Fields in Modeling Protein Disordered States
2014
Using metadynamics to explore complex free-energy landscapes
2020
Frustrated Lewis Pairs: Metal‐free Hydrogen Activation and More
2009 Standout
Kinetic Modeling of Heptane Combustion and PAH Formation
2004
Hydrogenases
2014 Standout
Computational Prediction of the Heterodimeric and Higher-Order Structure of gpE1/gpE2 Envelope Glycoproteins Encoded by Hepatitis C Virus
2017 StandoutNobel
Detailed Kinetic Mechanism for the Oxidation of Vegetable Oil Methyl Esters: New Evidence from Methyl Heptanoate
2009
Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment
2017 Standout
Fast pyrolysis of glucose‐based carbohydrates with added NaCl part 1: Experiments and development of a mechanistic model
2015
Perspective: Coarse-grained models for biomolecular systems
2013
The Alpha–Bet(a) of Glucose Pyrolysis: Computational and Experimental Investigations of 5-Hydroxymethylfurfural and Levoglucosan Formation Reveal Implications for Cellulose Pyrolysis
2014
Deep Eutectic Solvents: A Review of Fundamentals and Applications
2020 Standout
RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview
2018
Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels
2012 Standout
Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production
2017
Polydopamine Surface Chemistry: A Decade of Discovery
2018 Standout
The broadening reach of frustrated Lewis pair chemistry
2016 StandoutScience
ResiCon: a method for the identification of dynamic domains, hinges and interfacial regions in proteins
2015
Alignment of Au nanorods along de novo designed protein nanofibers studied with automated image analysis
2021 StandoutNobel
PLUMED 2: New feathers for an old bird
2013 Standout
Biological Activity of Ionic Liquids and Their Application in Pharmaceutics and Medicine
2017
A Critical Review on Hemicellulose Pyrolysis
2016
Polarizable force fields for molecular dynamics simulations of biomolecules
2015
Actin filaments function as a tension sensor by tension-dependent binding of cofilin to the filament
2011
Chemical signaling involved in plant–microbe interactions
2017
Initial Stages of the Pyrolysis of Polyethylene
2015
DOPC versus DOPE as a helper lipid for gene-therapies: molecular dynamics simulations with DLin-MC3-DMA
2020
Visualization of Aluminum Ions at the Mica Water Interface Links Hydrolysis State-to-Surface Potential and Particle Adhesion
2020
Lignocellulosic biomass pyrolysis mechanism: A state-of-the-art review
2017 Standout
Unraveling the Reactions that Unravel Cellulose
2012
From ice-binding proteins to bio-inspired antifreeze materials
2017
Unraveling the Role of the Protein Environment for [FeFe]-Hydrogenase: A New Application of Coarse-Graining
2013
Frustrated Lewis Pairs
2015 Standout
Hydrogen production for energy: An overview
2020 Standout
Disentangling Rotational Dynamics and Ordering Transitions in a System of Self-Organizing Protein Nanorods via Rotationally Invariant Latent Representations
2021 StandoutNobel
Facet selectivity in gold binding peptides: exploiting interfacial water structure
2015
Recent progress in the development of diesel surrogate fuels
2010 Standout
Janus effect of antifreeze proteins on ice nucleation
2016
Proton Transport Pathways in [NiFe]-Hydrogenase
2012
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
2015 Standout
Quantitative Characterization of Domain Motions in Molecular Machines
2017 StandoutNobel
A New Dimension for Coordination Polymers and Metal–Organic Frameworks: Towards Functional Glasses and Liquids
2019 StandoutNobel
Origin-Dependent Variations in the Atmospheric Microbiome Community in Eastern Mediterranean Dust Storms
2017
Easy Transition Path Sampling Methods: Flexible-Length Aimless Shooting and Permutation Shooting
2015
Computational modeling and simulation of nanoparticle self-assembly in polymeric systems: Structures, properties and external field effects
2012
Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap
2011
2013 Standout
Liquid phase condensation in cell physiology and disease
2017 StandoutScience
Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition
2009
Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials
2016 Standout
Works of Jim Pfaendtner being referenced
A Systematic Methodology for Defining Coarse-Grained Sites in Large Biomolecules
2008
Defining Coarse-Grained Representations of Large Biomolecules and Biomolecular Complexes from Elastic Network Models
2009
Structural Effects of Methionine Oxidation on Isolated Subdomains of Human Fibrin D and αC Regions
2014
Fast Pyrolysis of Wood for Biofuels: Spatiotemporally Resolved Diffuse Reflectance In situ Spectroscopy of Particles
2014
Using Molecular Simulation to Study Biocatalysis in Ionic Liquids
2016
Tackling Sampling Challenges in Biomolecular Simulations
2014
Structure and Dynamics of the Actin Filament
2009
Systematic Multiscale Parameterization of Heterogeneous Elastic Network Models of Proteins
2008
Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics
2015
The 1-D hindered rotor approximation
2007
Deconstruction of high-density polyethylene into liquid hydrocarbon fuels and lubricants by hydrogenolysis over Ru catalyst
2021
Quantifying the Dynamics of Protein Self-Organization Using Deep Learning Analysis of Atomic Force Microscopy Data
2020 StandoutNobel
Data science: Accelerating innovation and discovery in chemical engineering
2016
Structure, Dynamics, and Activity of Xylanase Solvated in Binary Mixtures of Ionic Liquid and Water
2013
Molecular dynamics investigation of the ionic liquid/enzyme interface: Application to engineering enzyme surface charge
2015
Ionic Liquids Can Selectively Change the Conformational Free-Energy Landscape of Sugar Rings
2014
Characterizing the Catalyzed Hydrolysis of β-1,4 Glycosidic Bonds Using Density Functional Theory
2013
Structural and Dynamic Features of Candida rugosa Lipase 1 in Water, Octane, Toluene, and Ionic Liquids BMIM-PF6 and BMIM-NO3
2013
Nucleotide-dependent conformational states of actin
2009
Application of machine learning to pyrolysis reaction networks: Reducing model solution time to enable process optimization
2017
Efficient Simulation of Explicitly Solvated Proteins in the Well-Tempered Ensemble
2012
Statistical models are able to predict ionic liquid viscosity across a wide range of chemical functionalities and experimental conditions
2018
Quantifying the Molecular-Scale Aqueous Response to the Mica Surface
2017
Quantum Chemical Investigation of Low-Temperature Intramolecular Hydrogen Transfer Reactions of Hydrocarbons
2006
Millisecond Pulsed Films Unify the Mechanisms of Cellulose Fragmentation
2016
Lexicography of kinetic modeling of complex reaction networks
2005
Closing the Gap Between Modeling and Experiments in the Self-Assembly of Biomolecules at Interfaces and in Solution
2020
Actin filament remodeling by actin depolymerization factor/cofilin
2010
Enhanced sampling of chemical and biochemical reactions with metadynamics
2014
Exhaustively Sampling Peptide Adsorption with Metadynamics
2013
Ice-nucleating bacteria control the order and dynamics of interfacial water
2016