Constructing <i>ab initio</i> force fields for molecular dynamics simulations

Yiping Liu, Kyungsun Kim, B. J. Berne, +2

The Journal of Chemical Physics

EngineeringComputational ChemistryChemistryForce Field ParametrizationMolecular Dynamics +15

Iron supplement prevents lead-induced disruption of the blood–brain barrier during rat development

Qiang Wang, Wenjing Luo, Wei Zheng, +7

Toxicology and Applied Pharmacology

Nutrient BioavailabilityMicronutrientsIron MetabolismBlood–brain BarrierPhysiology +10

Tunneling in the Presence of a Bath: A Generalized Transition State Theory Approach

Donald G. Truhlar, Yiping Liu, Gregory K. Schenter, +1

The Journal of Physical Chemistry

EngineeringChemical AnalysisAltmetric Attention ScoreOrganic ChemistryChemistry +19

High Rabbit-Antihuman Thymocyte Globulin Levels Are Associated with Low Likelihood of Graft-vs-Host Disease and High Likelihood of Posttransplant Lymphoproliferative Disorder

Peter Podgorny, Alejandra Ugarte-Torres, Yiping Liu, +3

Biology of Blood and Marrow Transplantation

HistocompatibilityImmunologyPathologyImmunotherapyGraft-vs-host Disease +17

Impact of CYP2C19 Genotype and Liver Function on Voriconazole Pharmacokinetics in Renal Transplant Recipients

Ziwei Li, Fenghua Peng, Miao Yan, +11

Therapeutic Drug Monitoring

Antidepressant-like effect of n-3 PUFAs in CUMS rats: role of tPA/PAI-1 system

Mimi Tang, Pei Jiang, LI Huan-de, +4

Physiology & Behavior

Stress HormonePsychiatryN-3 PufasMedicineCums Rats +8

Dysregulation of vitamin D metabolism in the brain and myocardium of rats following prolonged exposure to dexamethasone

Pei Jiang, Ying Xue, LI Huan-de, +4

Psychopharmacology

Vitamin D MetabolismMedicinePhysiologyProlonged ExposureNeuropharmacology +7

Effectiveness of Norplant® implants through seven years: A large-scale study in China

Gu Sujuan, Irving Sivin, Ming-kun Du, +11

Contraception

Norplant® ImplantsMedicineSurgeryLarge-scale StudyImplantable Device +1

Small molecule inhibition of cyclic GMP-AMP synthase ameliorates sepsis-induced cardiac dysfunction in mice

XU Qing-qin, Haolan Xiong, Wenxiu Zhu, +2

Life Sciences

InflammationCardiac MuscleCyclic Gmp-amp SynthaseHeart FailureMolecular Physiology +10

Effects of exercise intervention on vascular endothelium functions of patients with impaired glucose tolerance during prediabetes mellitus

Yiping Liu, Jianwei Li, Zhenghong Zhang, +3

Experimental and Therapeutic Medicine

Physical ActivityCardiometabolic RiskVascular Endothelium FunctionsMetabolic SyndromeBody Composition +18