4-Thiazolidinones: novel inhibitors of the bacterial enzyme murB

Charles J. Andres, Joanne J. Bronson, Stanley V. D’Andrea, +10

Bioorganic & Medicinal Chemistry Letters

MedicineBacterial Enzyme MurbAntibacterial AgentAntimicrobial ChemotherapyMicrobiology +4

Structure-based design and combinatorial chemistry yield low nanomolar inhibitors of cathepsin D

Ellen K. Kick, Diana C. Roe, A. Geoffrey Skillman, +5

Chemistry & Biology

Combinatorial ChemistryMedicinal ChemistryCathepsin DBiochemistryNatural Sciences +9

Simulation of the solvation free energies for methane, ethane, and propane and corresponding amino acid dipeptides: a critical test of the bond-PMF correction, a new set of hydrocarbon parameters, and the gas phase-water hydrophobicity scale

Yaxiong Sun, David C. Spellmeyer, David A. Pearlman, +1

Journal of the American Chemical Society

EngineeringChemical AnalysisAltmetric Attention ScoreOrganic ChemistryComputational Chemistry +16

Targeting a binding pocket within the trimer-of-hairpins: Small-molecule inhibition of viral fusion

Christopher Cianci, David R. Langley, Douglas D. Dischino, +9

Proceedings of the National Academy of Sciences

Mineralogical and chemical distribution of the Es3L oil shale in the Jiyang Depression, Bohai Bay Basin (E China): Implications for paleoenvironmental reconstruction and organic matter accumulation

Jianhua He, Wenlong Ding, Zaixing Jiang, +3

Marine and Petroleum Geology

Petroleum ReservoirEngineeringOrganic Matter AccumulationOrganic PetrologyEs3l Oil Shale +6

Design, Synthesis, and Biological Evaluation of Potent c-Met Inhibitors

Noel D. D’Angelo, Steven F. Bellon, Shon K. Booker, +23

Journal of Medicinal Chemistry

Molecular DockingMedicinal ChemistryDrug TargetPotent C-met InhibitorsBiochemistry +11

Petrophysical characterization of shale reservoir based on nuclear magnetic resonance (NMR) experiment: A case study of Lower Cambrian Qiongzhusi Formation in eastern Yunnan Province, South China

Ang Li, Wenlong Ding, Ruyue Wang, +5

Journal of Natural Gas Science and Engineering

Facies AnalysisEngineeringReservoir CharacterizationEastern Yunnan ProvinceGeology +7

Hydrophobic solvation of methane and nonbond parameters of the TIP3P water model

Yaxiong Sun, Peter A. Kollman

Journal of Computational Chemistry

EngineeringTip3p ModelComputational ChemistryChemistrySolution (Chemistry) +14

Logging identification and characteristic analysis of the lacustrine organic-rich shale lithofacies: A case study from the Es3L shale in the Jiyang Depression, Bohai Bay Basin, Eastern China

Jianhua He, Wenlong Ding, Zaixing Jiang, +3

Journal of Petroleum Science and Engineering

Protein asparagine deamidation prediction based on structures with machine learning methods

Lei Jia, Yaxiong Sun

PLoS ONE

Structural BioinformaticsBiomolecular Structure PredictionMolecular BiologyRandom Forest ModelProtein Folding +16