Citation Impact
Citing Papers
2018 Guidelines for the Early Management of Patients With Acute Ischemic Stroke: A Guideline for Healthcare Professionals From the American Heart Association/American Stroke Association
2018 Standout
Reducing food’s environmental impacts through producers and consumers
2018 StandoutScience
An Efficient Approach for Assessing Hyperparameter Importance
2014
Alanine aminotransferase, HCV RNA levels and pro-inflammatory and pro-fibrogenic cytokines/chemokines during acute hepatitis C virus infection
2016
Recovery of Free Energy Branches in Single Molecule Experiments
2009
Asymptotics of work distributions in nonequilibrium systems
2009
Stochastic thermodynamics, fluctuation theorems and molecular machines
2012 Standout
Munc18-1 Tuning of Vesicle Merger and Fusion Pore Properties
2011 StandoutNobel
GROMACS: Fast, flexible, and free
2005 Standout
Accuracy and convergence of free energy differences calculated from nonequilibrium switching processes
2008
Longitudinal transcriptomic characterization of the immune response to acute hepatitis C virus infection in patients with spontaneous viral clearance
2018 StandoutNobel
Generalized detailed fluctuation theorem under nonequilibrium feedback control
2010
Length of Time’s Arrow
2008
Probing Molecular Free Energy Landscapes by Periodic Loading
2004
Verification of the Crooks fluctuation theorem and recovery of RNA folding free energies
2005 Nature
Optimized Free Energies from Bidirectional Single-Molecule Force Spectroscopy
2008
Efficient extraction of free energy profiles from nonequilibrium experiments
2009
Measuring similarity and improving stability in biomarker identification methods applied to Fourier‐transform infrared (FTIR) spectroscopy
2014
Improving Free-Energy Estimates from Unidirectional Work Measurements: Theory and Experiment
2011
Multiscale modeling of biological functions
2011 StandoutNobel
Current Status of the AMOEBA Polarizable Force Field
2010
Stop explaining black box machine learning models for high stakes decisions and use interpretable models instead
2019 Standout
Statistical mechanics and molecular dynamics in evaluating thermodynamic properties of biomolecular recognition
2011
A structure-based computational workflow to predict liability and binding modes of small molecules to hERG
2020 StandoutNobel
Distribution of work in isothermal nonequilibrium processes
2004
The basic reproduction number (R0) of measles: a systematic review
2017
Comparative Energy Measurements in Single Molecule Interactions
2008
Using Raman spectroscopy to characterize biological materials
2016 Standout
Using bijective maps to improve free-energy estimates
2009
Single-molecule experiments in biological physics: methods and applications
2006
Improving fast-switching free energy estimates by dynamical freezing
2009
Using ecological coexistence theory to understand antibiotic resistance and microbial competition
2021
Rare events and the convergence of exponentially averaged work values
2006
Predicting Ligand Binding Affinity with Alchemical Free Energy Methods in a Polar Model Binding Site
2009
Far-from-equilibrium measurements of thermodynamic length
2009
Antibiotic resistance in the environment
2021 Standout
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
2015 Standout
Accounting for Ligand Conformational Restriction in Calculations of Protein-Ligand Binding Affinities
2010
Stan: A Probabilistic Programming Language
2017 Standout
Optimal Estimates of Free Energies from Multistate Nonequilibrium Work Data
2006
ORAC: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level
2009
Plasma interferon-gamma-inducible protein-10 (IP-10) levels during acute hepatitis C virus infection
2013
Deep learning in neural networks: An overview
2014 Standout
Virtual screening using molecular simulations
2011
Efficient use of nonequilibrium measurement to estimate free energy differences for molecular systems
2004
Part 15: First Aid
2015
Guidelines for the Early Management of Patients With Acute Ischemic Stroke
2013 Standout
Quantifying Transient 3D Dynamical Phenomena of Single mRNA Particles in Live Yeast Cell Measurements
2013 StandoutNobel
Active Particles in Complex and Crowded Environments
2016 Standout
Structure and Nanostructure in Ionic Liquids
2015 Standout
MoleculeNet: a benchmark for molecular machine learning
2017 Standout
Computer Simulation of Liquids
2017 Standout
Explainable Artificial Intelligence (XAI): Concepts, taxonomies, opportunities and challenges toward responsible AI
2019 Standout
Role of big data analytics in developing sustainable capabilities
2018 Standout
Random Forests and Kernel Methods
2016
Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulations
2015
Bayesian estimates of free energies from nonequilibrium work data in the presence of instrument noise
2008
Comparison of efficiency and bias of free energies computed by exponential averaging, the Bennett acceptance ratio, and thermodynamic integration
2005
Phase-space overlap measures. I. Fail-safe bias detection in free energies calculated by molecular simulation
2005
An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0
2011 Standout
Riemann Manifold Langevin and Hamiltonian Monte Carlo Methods
2011
Free energy profiles from single-molecule pulling experiments
2010
Optimal protocols for minimal work processes in underdamped stochastic thermodynamics
2008
Citizen Science: A Developing Tool for Expanding Science Knowledge and Scientific Literacy
2009 Standout
Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald
2013 Standout
Consistency of random forests
2015
Public Participation in Scientific Research: a Framework for Deliberate Design
2012 Standout
Equalities and Inequalities: Irreversibility and the Second Law of Thermodynamics at the Nanoscale
2011
The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask
2014
A random forest guided tour
2016 Standout
Big data analytics and firm performance: Effects of dynamic capabilities
2016 Standout
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
2008 Standout
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
2013 Standout
Coarse-Grained (Multiscale) Simulations in Studies of Biophysical and Chemical Systems
2011 StandoutNobel
Measurement of the Effect of Monovalent Cations on RNA Hairpin Stability
2007
Predicting Small-Molecule Solvation Free Energies: An Informal Blind Test for Computational Chemistry
2008
Using stochastic models calibrated from nanosecond nonequilibrium simulations to approximate mesoscale information
2009
Visualizing the Effects of Predictor Variables in Black Box Supervised Learning Models
2020
The current state of citizen science as a tool for ecological research and public engagement
2012 Standout
Causal Interpretations of Black-Box Models
2019
Estimation and Inference of Heterogeneous Treatment Effects using Random Forests
2017
A Review of Recurrent Neural Networks: LSTM Cells and Network Architectures
2019 Standout
PLUMED 2: New feathers for an old bird
2013 Standout
A comparison of the solvation thermodynamics of amino acid analogues in water, 1-octanol and 1-n-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids by molecular simulation
2012
Big Data, new epistemologies and paradigm shifts
2014 Standout
Direct calculation of the binding free energies of FKBP ligands
2005
Hummer and Szabo-like Potential of Mean Force Estimator for Bidirectional Nonequilibrium Pulling Experiments/Simulations
2010
Calculating potentials of mean force and diffusion coefficients from nonequilibrium processes without Jarzynski’s equality
2006
Optimal Finite-Time Processes In Stochastic Thermodynamics
2007
On the use of Harrell’s C for clinical risk prediction via random survival forests
2016
On the asymptotics of random forests
2015
Whole‐volume clustering of time series data from zebrafish brain calcium images via mixture modeling
2017
Gaussian-Mixture Umbrella Sampling
2009
Hard spheres revisited: Accurate calculation of the solid–liquid interfacial free energy
2010
Machine Learning Methods for Property Prediction in Chemoinformatics:Quo Vadis?
2012
Optimum protocol for fast-switching free-energy calculations
2010
Definitions, methods, and applications in interpretable machine learning
2019 Standout
Fundamentals of Recurrent Neural Network (RNN) and Long Short-Term Memory (LSTM) network
2020 Standout
How ‘big data’ can make big impact: Findings from a systematic review and a longitudinal case study
2015
Shapley Effects for Global Sensitivity Analysis: Theory and Computation
2016
Citizen Science as an Ecological Research Tool: Challenges and Benefits
2010
Nonequilibrium work relations: foundations and applications
2008
Peeking Inside the Black-Box: A Survey on Explainable Artificial Intelligence (XAI)
2018 Standout
Colloquium: Nonequilibrium dynamics of closed interacting quantum systems
2011 Standout
On the use of local diffusion models for path ensemble averaging in potential of mean force computations
2007
Potential Outcome and Directed Acyclic Graph Approaches to Causality: Relevance for Empirical Practice in Economics
2020 StandoutNobel
Big data and the future of ecology
2013
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
2015 Standout
The revival of the Gini importance?
2018 Standout
Training restricted Boltzmann machines: An introduction
2013
Comparison of free energy methods for molecular systems
2006
Nonequilibrium Steady State of a Nanometric Biochemical System: Determining the Thermodynamic Driving Force from Single Enzyme Turnover Time Traces
2005
Good Practices in Free-Energy Calculations
2010
Airborne transmission of respiratory viruses
2021 StandoutScience
Renormalizing SMD: The Renormalization Approach and Its Use in Long Time Simulations and Accelerated PMF Calculations of Macromolecules
2010 StandoutNobel
Nonequilibrium thermodynamics at the microscale: Work relations and the second law
2010
Finite Mixture Models
2000 Standout
LSTM: A Search Space Odyssey
2016 Standout
g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations
2014 Standout
Quantifying Multiscale Noise Sources in Single-Molecule Time Series
2008
Statistically optimal analysis of samples from multiple equilibrium states
2008
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
2013 Standout
Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics
2013
Works of Giles Hooker being referenced
An expanded modern coexistence theory for empirical applications
2018
Transparent Model Distillation.
2018
Auditing Black-Box Models Using Transparent Model Distillation With Side Information
2017
Ensemble Trees and CLTs: Statistical Inference for Supervised Learning
2014
Equilibrium Free Energies from Nonequilibrium Measurements Using Maximum-Likelihood Methods
2003
Physicians and Lay People Are Unable to Apply Pressure Immobilization Properly in a Simulated Snakebite Scenario
2005
The Computerized Adaptive Diagnostic Test for Major Depressive Disorder (CAD-MDD)
2013
Spatiotemporal exploratory models for broad‐scale survey data
2010
Induction of CXCR3- and CCR5-associated chemokines during acute hepatitis C virus infection
2011
Parameterizing state–space models for infectious disease dynamics by generalized profiling: measles in Ontario
2010
Parameter Estimation for Differential Equations: a Generalized Smoothing Approach
2007
Quantifying Uncertainty in Random Forests via Confidence Intervals and Hypothesis Tests
2014
Functional Data Analysis with R and MATLAB
2009
Data-intensive Science: A New Paradigm for Biodiversity Studies
2009
Generalized Functional ANOVA Diagnostics for High-Dimensional Functions of Dependent Variables
2007