Molecular Dynamics-Based Virtual Screening: Accelerating the Drug Discovery Process by High-Performance Computing

Ge Hu, Yu Wang, Chanjuan Li, +9

Journal of Chemical Information and Modeling

EngineeringHit IdentificationMolecular BiologyBiological ComputingMolecular Dynamics +19

Spectroscopic Study on the Interaction between Naphthalimide-Polyamine Conjugates and Bovine Serum Albumin (BSA)

Zhiyong Tian, Lina Song, Yuan Zhao, +5

Molecules

Biosynthetic Mechanism of Lanosterol: Cyclization

Nanhao Chen, Shenglong Wang, Lidia Smentek, +2

Angewandte Chemie International Edition

Biosynthetic MechanismAsynchronous CyclizationBiosynthesisBioorganic ChemistryEngineering +12

Highly Integrated Phase Change and Radiative Cooling Fiber Membrane for Adaptive Personal Thermal Regulation

Akbar Bashir, Xiaohong Wu, Chen Liu, +6

Advanced Functional Materials

EngineeringRefrigerationHeat Transfer ProcessIntegrated Phase ChangeThermal Modeling +14

Computational Design of a Time-Dependent Histone Deacetylase 2 Selective Inhibitor

Jingwei Zhou, Min Li, Nanhao Chen, +4

ACS Chemical Biology

Reactivity DifferenceMolecular BiologyPharmaceutical ChemistryIsoform-selective Histone DeacetylaseSystems Pharmacology +18

Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad <i>Bufo bufo gargarizans</i>

Hai‐Yan Tian, Li-Jun Ruan, Tong Lei Yu, +7

Journal of Natural Products

BiologyMorphological EvidenceBiochemistryNatural SciencesMedicine +13

Sequence-Based Prediction of Metamorphic Behavior in Proteins

Nanhao Chen, Madhurima Das, Andy LiWang, +1

Biophysical Journal

Source of Rate Acceleration for Carbocation Cyclization in Biomimetic Supramolecular Cages

Q. N. Nguyen, Kay T. Xia, Yue Zhang, +11

Journal of the American Chemical Society

Concerted Cyclization of Lanosterol C-Ring and D-Ring Under Human Oxidosqualene Cyclase Catalysis: An ab Initio QM/MM MD Study

Nanhao Chen, Jingwei Zhou, Jiabo Li, +2

Journal of Chemical Theory and Computation

Bioorganic ChemistryEngineeringOrganic ChemistryConcerted CyclizationChemistry +14

Protonation-Dependent Diphosphate Cleavage in FPP Cyclases and Synthases

Fan Zhang, Nanhao Chen, Jingwei Zhou, +1

ACS Catalysis

BiosynthesisBioorganic ChemistryEnzyme Catalysis SynthesisBiochemistryCellular Enzymology +11