Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences

Shuzhe Wang, Jagna Witek, Gregory A. Landrum, +1

Journal of Chemical Information and Modeling

Small RingsEngineeringGeometryPhysicsNatural Sciences +12

2D CoOOH Sheet-Encapsulated Ni2P into Tubular Arrays Realizing 1000 mA cm−2-Level-Current-Density Hydrogen Evolution Over 100 h in Neutral Water

Shucong Zhang, Wenbin Wang, Fei-Long Hu, +7

Nano-Micro Letters

Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides

Jagna Witek, Shuzhe Wang, Benjamin Schroeder, +8

Journal of Chemical Information and Modeling

Dual‐Regulation of Defect Sites and Vertical Conduction by Spiral Domain for Electrocatalytic Hydrogen Evolution

Xipeng Tong, Yang Zhao, Zhiwen Zhuo, +6

Angewandte Chemie International Edition

Tuning hydrogen binding energy by interfacial charge transfer enables pH-universal hydrogen evolution catalysis of metal phosphides

Wanping Li, Gao Cheng, Shaomin Peng, +6

Chemical Engineering Journal

Chemical EngineeringEngineeringProton TransferHydrogen BondSingle-atom Catalyst +6

Solar-Driven Interfacial Water Evaporation Using Open-Porous PDMS Embedded with Carbon Nanoparticles

Shuzhe Wang, Sara M. Almenabawy, Nazir P. Kherani, +2

ACS Applied Energy Materials

EngineeringNanoporous MaterialPolymer NanotechnologyPorous PolymerComposite Foams +18

2D Hybrid Superlattice-Based On-Chip Electrocatalytic Microdevice for <i>in Situ</i> Revealing Enhanced Catalytic Activity

Yabin Guo, Qiao Chen, Anmin Nie, +9

ACS Nano

Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates

Carmen Esposito, Shuzhe Wang, Udo E. W. Lange, +2

Journal of Chemical Information and Modeling

Multi-scale regulation in S, N co-incorporated carbon encapsulated Fe-doped Co9S8 achieving efficient water oxidation with low overpotential

Wenbin Wang, Yang Yang, Yang Zhao, +4

Nano Research

Effect of Flexibility, Lipophilicity, and the Location of Polar Residues on the Passive Membrane Permeability of a Series of Cyclic Decapeptides

Shuzhe Wang, Gerhard König, Hans‐Jörg Roth, +3

Journal of Medicinal Chemistry