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Promises of Main Group Metal–Based Nanostructured Materials for Electrochemical CO2 Reduction to Formate

Advanced energy materials, 2020-03, Vol.10 (11), p.n/a

2020

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Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

Journal of chemical information and modeling, 2011-01, Vol.51 (1), p.69-82

2011

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Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set

Physical chemistry chemical physics : PCCP, 2014-08, Vol.16 (31), p.16719-16729

2014

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Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

Journal of computational chemistry, 2011-04, Vol.32 (5), p.866-877

2011

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Assessing the Performance of MM/PBSA and MM/GBSA Methods. 3. The Impact of Force Fields and Ligand Charge Models

The journal of physical chemistry. B, 2013-07, Vol.117 (28), p.8408-8421

2013

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Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (32), p.22129-22139

2016

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Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (18), p.12964-12975

2016

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Porous Ni5P4 as a promising cocatalyst for boosting the photocatalytic hydrogen evolution reaction performance

Applied catalysis. B, Environmental, 2020-10, Vol.275, p.119144, Article 119144

2020

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g‐C3N4 Loading Black Phosphorus Quantum Dot for Efficient and Stable Photocatalytic H2 Generation under Visible Light

Advanced functional materials, 2018-05, Vol.28 (22), p.n/a

2018

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Polyamide nanofiltration membrane with highly uniform sub-nanometre pores for sub-1 Å precision separation

Nature communications, 2020-04, Vol.11 (1), p.2015-2015, Article 2015

2020

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Two-Dimensional MnO2 as a Better Cathode Material for Lithium Ion Batteries

Journal of physical chemistry. C, 2015-12, Vol.119 (52), p.28783-28788

2015

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Janus Structures of Transition Metal Dichalcogenides as the Heterojunction Photocatalysts for Water Splitting

Journal of physical chemistry. C, 2018-02, Vol.122 (5), p.3123-3129

2018

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Characterization of Domain–Peptide Interaction Interface: Prediction of SH3 Domain-Mediated Protein–Protein Interaction Network in Yeast by Generic Structure-Based Models

Journal of proteome research, 2012-05, Vol.11 (5), p.2982-2995

2012

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Unveiling the origin of boosted photocatalytic hydrogen evolution in simultaneously (S, P, O)-Codoped and exfoliated ultrathin g-C3N4 nanosheets

Applied catalysis. B, Environmental, 2019-07, Vol.248, p.84-94

2019

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Fully Tensile Strained Pd3Pb/Pd Tetragonal Nanosheets Enhance Oxygen Reduction Catalysis

Nano letters, 2019-02, Vol.19 (2), p.1336-1342

2019

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Single atom tungsten doped ultrathin α-Ni(OH) 2 for enhanced electrocatalytic water oxidation

Nature communications, 2019-05, Vol.10 (1), p.2149-2149, Article 2149

2019

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Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK)

Journal of medicinal chemistry, 2019-12, Vol.62 (24), p.10927-10954

2019

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A General Strategy to Glassy M‐Te (M = Ru, Rh, Ir) Porous Nanorods for Efficient Electrochemical N2 Fixation

Advanced materials (Weinheim), 2020-03, Vol.32 (11), p.e1907112-n/a

2020

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Transition metal-doped ultrathin RuO2 networked nanowires for efficient overall water splitting across a broad pH range

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (11), p.6411-6416

2019

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Pyridinic-N-Dominated Doped Defective Graphene as a Superior Oxygen Electrocatalyst for Ultrahigh-Energy-Density Zn–Air Batteries

ACS energy letters, 2018-05, Vol.3 (5), p.1183-1191

2018

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A rhodium/silicon co-electrocatalyst design concept to surpass platinum hydrogen evolution activity at high overpotentials

Nature communications, 2016-07, Vol.7 (1), p.12272-12272, Article 12272

2016

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Hierarchical VS2 Nanosheet Assemblies: A Universal Host Material for the Reversible Storage of Alkali Metal Ions

Advanced materials (Weinheim), 2017-09, Vol.29 (35), p.n/a

2017

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Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring

Physical chemistry chemical physics : PCCP, 2014-10, Vol.16 (40), p.22035-22045

2014

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In Situ Controlled Construction of a Hierarchical Supramolecular Chiral Liquid‐Crystalline Polymer Assembly

Angewandte Chemie International Edition, 2020-06, Vol.59 (24), p.9669-9677

International ed. in English, 2020

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Activating the MoS2 Basal Planes for Electrocatalytic Hydrogen Evolution by 2H/1T′ Structural Interfaces

ACS applied materials & interfaces, 2019-11, Vol.11 (45), p.42014-42020

2019

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Promises of Main Group Metal–Based Nanostructured Materials for Electrochemical CO2 Reduction to Formate

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set

Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

Assessing the Performance of MM/PBSA and MM/GBSA Methods. 3. The Impact of Force Fields and Ligand Charge Models

Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking

Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power

Porous Ni5P4 as a promising cocatalyst for boosting the photocatalytic hydrogen evolution reaction performance

g‐C3N4 Loading Black Phosphorus Quantum Dot for Efficient and Stable Photocatalytic H2 Generation under Visible Light

Polyamide nanofiltration membrane with highly uniform sub-nanometre pores for sub-1 Å precision separation

Two-Dimensional MnO2 as a Better Cathode Material for Lithium Ion Batteries

Janus Structures of Transition Metal Dichalcogenides as the Heterojunction Photocatalysts for Water Splitting

Characterization of Domain–Peptide Interaction Interface: Prediction of SH3 Domain-Mediated Protein–Protein Interaction Network in Yeast by Generic Structure-Based Models

Unveiling the origin of boosted photocatalytic hydrogen evolution in simultaneously (S, P, O)-Codoped and exfoliated ultrathin g-C3N4 nanosheets

Fully Tensile Strained Pd3Pb/Pd Tetragonal Nanosheets Enhance Oxygen Reduction Catalysis

Single atom tungsten doped ultrathin α-Ni(OH) 2 for enhanced electrocatalytic water oxidation

Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK)

A General Strategy to Glassy M‐Te (M = Ru, Rh, Ir) Porous Nanorods for Efficient Electrochemical N2 Fixation

Transition metal-doped ultrathin RuO2 networked nanowires for efficient overall water splitting across a broad pH range

Pyridinic-N-Dominated Doped Defective Graphene as a Superior Oxygen Electrocatalyst for Ultrahigh-Energy-Density Zn–Air Batteries

A rhodium/silicon co-electrocatalyst design concept to surpass platinum hydrogen evolution activity at high overpotentials

Hierarchical VS2 Nanosheet Assemblies: A Universal Host Material for the Reversible Storage of Alkali Metal Ions

Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring

In Situ Controlled Construction of a Hierarchical Supramolecular Chiral Liquid‐Crystalline Polymer Assembly

Activating the MoS2 Basal Planes for Electrocatalytic Hydrogen Evolution by 2H/1T′ Structural Interfaces

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