Molecular Dynamics Simulation of Tryptophan Hydroxylase-1: Binding Modes and Free Energy Analysis to Phenylalanine Derivative Inhibitors

Exploring the Proton Conductance and Drug Resistance of BM2 Channel through Molecular Dynamics Simulations and Free Energy Calculations at Different pH Conditions

(2013) Yuxin Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Computational Study on Thiourea Analogs as Potent MK-2 Inhibitors

(2012) Ming Hao et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Computational Studies of Difference in Binding Modes of Peptide and Non-Peptide Inhibitors to MDM2/MDMX Based on Molecular Dynamics Simulations

(2012) Jianzhong Chen et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Identification of Novel Potential β-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations

(2012) Jianling Liu et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Combining Molecular Docking and Molecular Dynamics to Predict the Binding Modes of Flavonoid Derivatives with the Neuraminidase of the 2009 H1N1 Influenza A Virus

(2012) Shih-Jen Lu et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Combined Structure-Based Pharmacophore and 3D-QSAR Studies on Phenylalanine Series Compounds as TPH1 Inhibitors

(2012) Liang Ouyang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

A Combination of 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation Studies of Benzimidazole-Quinolinone Derivatives as iNOS Inhibitors

(2012) Hao Zhang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

A descriptor of amino acids SVWG and its applications in peptide QSAR

(2012) Jianbo Tong et al.   JOURNAL OF CHEMOMETRICS

5-HT and bone biology

(2011) Patricia Ducy   CURRENT OPINION IN PHARMACOLOGY

Efficacy of serotonin inhibition in mouse models of bone loss

(2011) Hiroyuki Inose et al.   JOURNAL OF BONE AND MINERAL RESEARCH

LRP5, serotonin, and bone: Complexity, contradictions, and conundrums

(2011) David Goltzman   JOURNAL OF BONE AND MINERAL RESEARCH

Levels of serotonin, sclerostin, bone turnover markers as well as bone density and microarchitecture in patients with high-bone-mass phenotype due to a mutation in Lrp5

(2011) Morten Frost et al.   JOURNAL OF BONE AND MINERAL RESEARCH

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

(2011) Roman A. Laskowski et al.   Journal of Chemical Information and Modeling

The molecular mechanism studies of chirality effect of PHA-739358 on Aurora kinase A by molecular dynamics simulation and free energy calculations

(2011) Yuanhua Cheng et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The two faces of serotonin in bone biology

(2010) Patricia Ducy et al.   JOURNAL OF CELL BIOLOGY

MMPBSA Decomposition of the Binding Energy throughout a Molecular Dynamics Simulation of Amyloid-Beta (Aß10−35) Aggregation

(2010) Josep M. Campanera et al.   MOLECULES

Pharmacological inhibition of gut-derived serotonin synthesis is a potential bone anabolic treatment for osteoporosis

(2010) Vijay K Yadav et al.   NATURE MEDICINE

LX-1031, a tryptophan 5-hydroxylase inhibitor, and its potential in chronic diarrhea associated with increased serotonin

(2010) M. Camilleri   NEUROGASTROENTEROLOGY AND MOTILITY

Tryptophan Hydroxylase as Novel Target for the Treatment of Depressive Disorders

(2010) Susann Matthes et al.   PHARMACOLOGY

Substituted 3-(4-(1,3,5-triazin-2-yl)-phenyl)-2-aminopropanoic acids as novel tryptophan hydroxylase inhibitors

(2009) Haihong Jin et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Role of serotonin in gastrointestinal motility and irritable bowel syndrome

(2009) Arbab Sikander et al.   CLINICA CHIMICA ACTA

Modulation of Peripheral Serotonin Levels by Novel Tryptophan Hydroxylase Inhibitors for the Potential Treatment of Functional Gastrointestinal Disorders

(2008) Zhi-Cai Shi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Comparative molecular dynamics simulations of histone deacetylase-like protein: Binding modes and free energy analysis to hydroxamic acid inhibitors

(2008) Chunli Yan et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Three-Dimensional Holographic Vector of Atomic Interaction Field Applied in QSAR of Anti-HIV HEPT Analogues

(2007) Jianbo Tong et al.   Quantitative structure-activity relationships & combinatorial science