Citation Impact
Citing Papers
Experimental accuracy in protein structure refinement via molecular dynamics simulations
2018
Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO 3 Solutions
2013 Science
Protein homology model refinement by large-scale energy optimization
2018 StandoutNobel
Formation, chemical evolution and solidification of the dense liquid phase of calcium (bi)carbonate
2024 StandoutNobel
Heparin-Protein Interactions
2002 Standout
Absolute binding free energy calculations: On the accuracy of computational scoring of protein–ligand interactions
2010 StandoutNobel
Examining the case for the effect of barrier compression on tunneling, vibrationally enhanced catalysis, catalytic entropy and related issues
2010 StandoutNobel
QM/MM Methods for Biomolecular Systems
2009 Standout
Molecular imaging in living subjects: seeing fundamental biological processes in a new light
2003 Standout
Reaching for high-hanging fruit in drug discovery at protein–protein interfaces
2007 StandoutNature
Improving implicit solvent simulations: a Poisson-centric view
2005
Ribosome-inactivating proteins from plants
1993
Small‐Molecule Affinity Ligands for Protein Purification: Combined Computational Enrichment and Automated In‐line Screening of an Optically Encoded Library
2010 StandoutNobel
Computational Enzyme Design
2013 StandoutNobel
The use of nanocrystals in biological detection
2003 Standout
Molecular Dynamics Simulation for All
2018 Standout
A structure-based computational workflow to predict liability and binding modes of small molecules to hERG
2020 StandoutNobel
Improved protein structure refinement guided by deep learning based accuracy estimation
2021 StandoutNobel
Structure Learning in Human Sequential Decision-Making
2010
Unraveling hot spots in binding interfaces: progress and challenges
2002
Binding of Small-Molecule Ligands to Proteins: “What You See” Is Not Always “What You Get”
2009
ABSINTH: A new continuum solvation model for simulations of polypeptides in aqueous solutions
2008
Recent advances in implicit solvent-based methods for biomolecular simulations
2008
Recent developments in methodologies for calculating the entropy and free energy of biological systems by computer simulation
2007
Crystal structure of the µ-opioid receptor bound to a morphinan antagonist
2012 StandoutNatureNobel
Crystallographic and computational studies on 4‐phenyl‐N‐(β‐D ‐glucopyranosyl)‐1H‐1,2,3‐triazole‐1‐acetamide, an inhibitor of glycogen phosphorylase: Comparison with α‐D ‐glucose, N‐acetyl‐β‐D ‐glucopyranosylamine and N‐benzoyl‐N′‐β‐D ‐glucopyranosyl urea binding
2007
A computational approach for predicting off-target toxicity of antiviral ribonucleoside analogues to mitochondrial RNA polymerase
2018 StandoutNobel
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations
2007 Standout
Prefrontal cortex as a meta-reinforcement learning system
2018 StandoutNobel
Experimental and Computational Analyses of the Energetic Basis for Dual Recognition of Immunity Proteins by Colicin Endonucleases
2008 StandoutNobel
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
2009 Standout
Click Chemistry for Drug Development and Diverse Chemical–Biology Applications
2013 Standout
Ligand configurational entropy and protein binding
2007
Prediction of the structure of symmetrical protein assemblies
2007 StandoutNobel
Computations of Standard Binding Free Energies with Molecular Dynamics Simulations
2009
Matching with Contracts
2005 StandoutNobel
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
Improvement of MRI Probes To Allow Efficient Detection of Gene Expression
2000
Computer Simulation of Liquids
2017 Standout
Measuring the Efficiency of an FCC Spectrum Auction
2013
Phenolics and polyphenolics in foods, beverages and spices: Antioxidant activity and health effects – A review
2015 Standout
Crystallization by particle attachment in synthetic, biogenic, and geologic environments
2015 StandoutScience
Combinatorial Auctions: A Survey
2003
Entropy and Free Energy of a Mobile Protein Loop in Explicit Water
2008
School choice: an experimental study
2005
“Solvent hydrogen‐bond occlusion”: A new model of polar desolvation for biomolecular energetics
2017
Magnetic Iron Oxide Nanoparticles: Synthesis, Stabilization, Vectorization, Physicochemical Characterizations, and Biological Applications
2008 Standout
Docking of Glycosaminoglycans to Heparin-Binding Proteins: Validation for aFGF, bFGF, and Antithrombin and Application to IL-8
1999
The Boston Public School Match
2005 StandoutNobel
Protein NMR Structures Refined with Rosetta Have Higher Accuracy Relative to Corresponding X-ray Crystal Structures
2014 StandoutNobel
Computational Modeling and Simulation of CO2Capture by Aqueous Amines
2017
Experiments Testing Multiobject Allocation Mechanisms
1997
Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment
2017 Standout
Classification of Intrinsically Disordered Regions and Proteins
2014 Standout
Theoretical Investigation of the Origins of Catalysis of a Retro-Diels−Alder Reaction by Antibody 10F11
2004
An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions
2009
Electrostatics of nanosystems: Application to microtubules and the ribosome
2001 Standout
What Have We Learned from Market Design?
2008 StandoutNobel
The Economist as Engineer: Game Theory, Experimentation, and Computation as Tools for Design Economics
2002 StandoutNobel
Statistical Convergence of Equilibrium Properties in Simulations of Molecular Solutes Embedded in Lipid Bilayers
2011
Protein Structure Refinement through Structure Selection and Averaging from Molecular Dynamics Ensembles
2012
Origin of the Temperature Dependence of Isotope Effects in Enzymatic Reactions: The Case of Dihydrofolate Reductase
2007 StandoutNobel
Computational protein structure refinement: almost there, yet still so far to go
2017
Computer Simulation of Protein−Protein Interactions
2001
Package Auctions and Exchanges
2007 StandoutNobel
Simulation of Tunneling in Enzyme Catalysis by Combining a Biased Propagation Approach and the Quantum Classical Path Method: Application to Lipoxygenase
2007 StandoutNobel
On Unjustifiably Misrepresenting the EVB Approach While Simultaneously Adopting It
2009 StandoutNobel
Calculation of Protein-Ligand Binding Affinities
2007
Challenges and Advances in Validating Enzyme Design Proposals: The Case of Kemp Eliminase Catalysis
2011 StandoutNobel
Toward Accurate Microscopic Calculation of Solvation Entropies: Extending the Restraint Release Approach to Studies of Solvation Effects
2009 StandoutNobel
The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design
2017 StandoutNobel
Physics-based methods for studying protein-ligand interactions.
2007
Combinatorial auction design
2003
Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors
2011
Designing Random Allocation Mechanisms: Theory and Applications
2013 StandoutNobel
The allocation of a shared resource within an organization
1996
Physics‐based protein structure refinement through multiple molecular dynamics trajectories and structure averaging
2013
The Redesign of the Matching Market for American Physicians: Some Engineering Aspects of Economic Design
1999 StandoutNobel
Computational Approaches: Reaction Trajectories, Structures, and Atomic Motions. Enzyme Reactions and Proficiency
2006
Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems
2006 StandoutNobel
Putting Auction Theory to Work: The Simultaneous Ascending Auction
2000 StandoutNobel
Engineering Chemical Reactivity on Cell Surfaces Through Oligosaccharide Biosynthesis
1997 StandoutScienceNobel
Proton-Coupled Electron Transfer
2012 Standout
A simple physical model for binding energy hot spots in protein–protein complexes
2002 StandoutNobel
Proton-Coupled Electron Transfer in Soybean Lipoxygenase
2004
Improving Efficiency of On-Campus Housing: An Experimental Study
2002
Works of Mark A. Olson being referenced
Molecular docking of superantigens with class II major histocompatibility complex proteins
1997
An efficient hybrid explicit/implicit solvent method for biomolecular simulations
2004
Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions
2007
Calculation of Absolute Protein-Ligand Binding Affinity Using Path and Endpoint Approaches
2005
Modeling loop reorganization free energies of acetylcholinesterase: A comparison of explicit and implicit solvent models
2004
Structure refinement of protein model decoys requires accurate side‐chain placement
2012
Modeling implicit reorganization in continuum descriptions of protein-protein interactions
2000
Cytotoxic Conjugates Containing Translational Inhibitory Proteins
1992
Comparison between self‐guided Langevin dynamics and molecular dynamics simulations for structure refinement of protein loop conformations
2011
Free-Energy Profiles of Membrane Insertion of the M2 Transmembrane Peptide from Influenza A Virus
2008
Evaluation of Unrestrained Replica-Exchange Simulations Using Dynamic Walkers in Temperature Space for Protein Structure Refinement
2014
Assessment of Detection and Refinement Strategies for de novo Protein Structures Using Force Field and Statistical Potentials
2006
Evaluation of Poisson Solvation Models Using a Hybrid Explicit/Implicit Solvent Method
2005
Phenolics, Phytic Acid, and Phytase in Canadian-Grown Low-Tannin Faba Bean (Vicia faba L.) Genotypes
2011
Theory, experiment and the federal communications commission spectrum auctions
2003
The First Use of a Combined-Value Auction for Transportation Services
2002
An experimental analysis of the bandit problem
1997
An experimental examination into the design of decentralized methods to solve the assignment problem with and without money
1994
Efficient Conformational Sampling in Explicit Solvent Using a Hybrid Replica Exchange Molecular Dynamics Method
2011
Protein Folding Simulations Combining Self-Guided Langevin Dynamics and Temperature-Based Replica Exchange
2010