Citation Impact
Citing Papers
Global analysis of protein folding using massively parallel design, synthesis, and testing
2017 StandoutScienceNobel
Formylglycine-generating enzyme binds substrate directly at a mononuclear Cu(I) center to initiate O 2 activation
2019 StandoutNobel
Towards deep learning with segregated dendrites
2017
Enzyme–microbe synergy during cellulose hydrolysis by Clostridium thermocellum
2006
cryoSPARC: algorithms for rapid unsupervised cryo-EM structure determination
2017 Standout
QM/MM Methods for Biomolecular Systems
2009 Standout
Et tu, Grotthuss! and other unfinished stories
2005
Structural Determinants of Proton Blockage in Aquaporins
2004
Proton-transport mechanisms in cytochrome c oxidase revealed by studies of kinetic isotope effects
2011 StandoutNobel
Backpropagation and the brain
2020 StandoutNobel
Transition-metal mediated carbon–sulfur bond activation and transformations
2012 Standout
MOFs as proton conductors – challenges and opportunities
2014 Standout
Role of the Biomolecular Energy Gap in Protein Design, Structure, and Evolution
2012 StandoutNobel
Solution structure of a minor and transiently formed state of a T4 lysozyme mutant
2011 StandoutNatureNobel
A pathogenic mutation in cytochrome c oxidase results in impaired proton pumping while retaining O2-reduction activity
2010
Cytochrome c oxidase: exciting progress and remaining mysteries
2008
Do we underestimate the importance of water in cell biology?
2006 Standout
Exploration of the cytochrome c oxidase pathway puzzle and examination of the origin of elusive mutational effects
2011 StandoutNobel
An improved algorithm for analytical gradient evaluation in resolution‐of‐the‐identity second‐order Møller‐Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis
2007
A D-Pathway Mutation Decouples the Paracoccus denitrificans Cytochrome c Oxidase by Altering the Side-Chain Orientation of a Distant Conserved Glutamate
2008 Nobel
Highly proton conductive nanoporous coordination polymers with sulfonic acid groups on the pore surface
2013 StandoutNobel
On the origin of the electrostatic barrier for proton transport in aquaporin
2004 StandoutNobel
Giga-voxel computational morphogenesis for structural design
2017 StandoutNature
Color-stable highly luminescent sky-blue perovskite light-emitting diodes
2018
Molecular Basis of Proton Blockage in Aquaporins
2004
Electron cryomicroscopy observation of rotational states in a eukaryotic V-ATPase
2015 Nature
Mechanism and energetics by which glutamic acid 242 prevents leaks in cytochrome c oxidase
2009
Variable proton-pumping stoichiometry in structural variants of cytochrome c oxidase
2010
Monitoring and assessing processes of organic chemicals removal in constructed wetlands
2008
Ultrastrong and Stiff Layered Polymer Nanocomposites
2007 StandoutScience
Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis
2015 Standout
Identifying and Eliminating Emissive Sub‐bandgap States in Thin Films of PbS Nanocrystals
2015 StandoutNobel
Photoexcited Surface Frustrated Lewis Pairs for Heterogeneous Photocatalytic CO2 Reduction
2016
Graphene and Graphene Oxide: Synthesis, Properties, and Applications
2010 Standout
Synthesis and Optical Properties of Lead-Free Cesium Tin Halide Perovskite Nanocrystals
2016 Standout
Carrier dynamics and the role of surface defects: Designing a photocatalyst for gas-phase CO 2 reduction
2016
Water as an Active Constituent in Cell Biology
2007 Standout
Copper Active Sites in Biology
2014 Standout
Protein engineering by highly parallel screening of computationally designed variants
2016
Scalable Parallel Approach for High-Fidelity Steady-State Aeroelastic Analysis and Adjoint Derivative Computations
2014
The Complete In‐Gap Electronic Structure of Colloidal Quantum Dot Solids and Its Correlation with Electronic Transport and Photovoltaic Performance
2013
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
2004 Standout
Electrostatic origin of the mechanochemical rotary mechanism and the catalytic dwell of F1-ATPase
2011 StandoutNobel
A Charge-Orbital Balance Picture of Doping in Colloidal Quantum Dot Solids
2012
Photocatalytic CO2 Reduction by Carbon-Coated Indium-Oxide Nanobelts
2017 StandoutNobel
Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method
2007 StandoutNobel
Ab initio study of the elastic properties of single-walled carbon nanotubes and graphene
2000
A quantum chemical study of the mechanism for proton-coupled electron transfer leading to proton pumping in cytochrome c oxidase
2010
The broadening reach of frustrated Lewis pair chemistry
2016 StandoutScience
Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies
2008 StandoutNobel
Molecular Modeling in Mineralogy and Geochemistry
2001
Pharmaceuticals of Emerging Concern in Aquatic Systems: Chemistry, Occurrence, Effects, and Removal Methods
2019 Standout
Dual Catalysis Strategies in Photochemical Synthesis
2016 Standout
Superoxide Ion: Generation and Chemical Implications
2016 Standout
Realistic simulations of the coupling between the protomotive force and the mechanical rotation of the F 0 -ATPase
2012 StandoutNobel
Methods for geometry optimization of large molecules. I. An O(N2) algorithm for solving systems of linear equations for the transformation of coordinates and forces
1998
High-Efficiency Perovskite Solar Cells
2020 Standout
Systematic optimization of long-range corrected hybrid density functionals
2008 Standout
Density Functionals with Broad Applicability in Chemistry
2008 Standout
The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design
2017 StandoutNobel
Cocatalysts for Selective Photoreduction of CO2into Solar Fuels
2019 Standout
Nonplanar peptide bonds in proteins are common and conserved but not biased toward active sites
2011
Recent advances in graphene based polymer composites
2010 Standout
Photovoltaic Performance of PbS Quantum Dots Treated with Metal Salts
2016 StandoutNobel
Vibrational Spectra and Structure of Kaolinite: A Computer Simulation Study
2000
Organic Proton‐Conducting Molecules as Solid‐State Separator Materials for Fuel Cell Applications
2011
Dynamic Trap Formation and Elimination in Colloidal Quantum Dots
2013
Solar Synthesis: Prospects in Visible Light Photocatalysis
2014 StandoutScience
On the Interpretation of the Observed Linear Free Energy Relationship in Phosphate Hydrolysis: A Thorough Computational Study of Phosphate Diester Hydrolysis in Solution
2008 StandoutNobel
Carbon−Sulfur and Carbon−Halogen Bond Cleavage of Acyclic or Cyclic Thioethers, Thiophenes, and Dihaloalkanes with the Trithiolato-Bridged Cation [Mo2Cp2(μ-SMe)3(MeCN)2]+
2009
Photothermal Nanomaterials: A Powerful Light-to-Heat Converter
2023 Standout
Controlled Assembly and Anomalous Thermal Expansion of Ultrathin Cesium Lead Bromide Nanoplatelets
2023 StandoutNobel
Open-Circuit Voltage Deficit, Radiative Sub-Bandgap States, and Prospects in Quantum Dot Solar Cells
2015 StandoutNobel
Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells
2017 StandoutScience
Energy Level Modification in Lead Sulfide Quantum Dot Thin Films through Ligand Exchange
2014 StandoutNobel
CO2 photo-reduction: insights into CO2 activation and reaction on surfaces of photocatalysts
2016 Standout
Halide-Dependent Electronic Structure of Organolead Perovskite Materials
2015
Proton-Coupled Electron Transfer
2012 Standout
Methods for optimizing large molecules. II. Quadratic search
1999
Fragment molecular orbital method: an approximate computational method for large molecules
1999
In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co 2+
2008 StandoutScience
A Comparison of Metallic and Composite Aircraft Wings Using Aerostructural Design Optimization
2012
Biomass Recalcitrance: Engineering Plants and Enzymes for Biofuels Production
2007 StandoutScience
Works of Ching-Hsing Yu being referenced
Functional Hydration and Conformational Gating of Proton Uptake in Cytochrome c Oxidase
2009
Theoretical Study of the Structure and Dynamic Fluctuations of Dioxolane-Linked Gramicidin Channels
2003
Electrostatic control of proton pumping in cytochrome c oxidase
2008
Ab Initio Study of the Conformational Dependence of the Nonplanarity of the Peptide Group
2000
Ab Initio Geometry Determinations of Proteins. 1. Crambin
1998
Ab initio investigations pertaining to aluminum in tetrahedral versus octahedral sites of clay minerals
1998
Reaction of CpRu(PPh3)2Cl with six-member cyclothioethers. Structures of the [CpRu(PPh3) x L]Y complexes (L = pentamethylene sulfide, x = 2, Y = BF4−; L = 1,3-dithiane; 1,3,5-trithiane, x = 2, Y = CF3SO3−; L = 1,4-dithiane, x = 1, Y = BF4−)
2003
Molecular dynamics simulations of sorption of organic compounds at the clay mineral/aqueous solution interface
1998
Catalytically Enhanced Endocellulase Cel5A from <I>Acidothermus cellulolyticus</I>
2005
SciNet: Lessons Learned from Building a Power-efficient Top-20 System and Data Centre
2010
Ab initio conformational analysis of N -formyl l -alanine amide including electron correlation
2001
Functional Dynamics of Ion Channels: Modulation of Proton Movement by Conformational Switches
2003