Exploring 3D structure of human gonadotropin hormone receptor at antagonist state using homology modeling, molecular dynamic simulation, and cross-docking studies

Homology modeling, molecular dynamic simulation, and docking based binding site analysis of human dopamine (D4) receptor

(2015) Minasadat Khoddami et al.   JOURNAL OF MOLECULAR MODELING

PLIP: fully automated protein–ligand interaction profiler

(2015) Sebastian Salentin et al.   NUCLEIC ACIDS RESEARCH

Homology modeling: an important tool for the drug discovery

(2014) Tanos Celmar Costa França   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Structure of the human P2Y12 receptor in complex with an antithrombotic drug

(2014) Kaihua Zhang et al.   NATURE

Receptors for luteinizing hormone-releasing hormone (GnRH) as therapeutic targets in triple negative breast cancers (TNBC)

(2014) C. W. Kwok et al.   Targeted Oncology

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Modelling three-dimensional protein structures for applications in drug design

(2013) Tobias Schmidt et al.   DRUG DISCOVERY TODAY

Characterization of the Gonadotropin Releasing Hormone Receptor (GnRHR) Expression and Activity in the Female Mouse Ovary

(2013) Saioa Torrealday et al.   ENDOCRINOLOGY

3D-QSAR Modeling of Non-peptide Antagonists for the Human Luteinizing Hormone-releasing Hormone Receptor

(2013) Alain Tundidor-Camba et al.   Medicinal Chemistry

LAMBADA and InflateGRO2: Efficient Membrane Alignment and Insertion of Membrane Proteins for Molecular Dynamics Simulations

(2012) Thomas H. Schmidt et al.   Journal of Chemical Information and Modeling

Effect of Hydrogen Bonds on pKa Values: Importance of Networking

(2012) Alireza Shokri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Template-based protein structure modeling using the RaptorX web server

(2012) Morten Källberg et al.   Nature Protocols

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

Real-Time PyMOL Visualization for Rosetta and PyRosetta

(2011) Evan H. Baugh et al.   PLoS One

Studying the catechol binding cavity in comparative models of human dopamine D2 receptor

(2010) Amirhossein Sakhteman et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Structures of the CXCR4 Chemokine GPCR with Small-Molecule and Cyclic Peptide Antagonists

(2010) B. Wu et al.   SCIENCE

Homology modeling in drug discovery: current trends and applications

(2009) Claudio N. Cavasotto et al.   DRUG DISCOVERY TODAY

Validation of Molecular Docking Programs for Virtual Screening against Dihydropteroate Synthase

(2009) Kirk E. Hevener et al.   Journal of Chemical Information and Modeling

TOPCONS: consensus prediction of membrane protein topology

(2009) A. Bernsel et al.   NUCLEIC ACIDS RESEARCH

GPCR 3D homology models for ligand screening: Lessons learned from blind predictions of adenosine A2a receptor complex

(2009) Vsevolod Katritch et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Trafficking of G-protein-coupled receptors to the plasma membrane: insights for pharmacoperone drugs

(2009) P. Michael Conn et al.   TRENDS IN ENDOCRINOLOGY AND METABOLISM

I-TASSER server for protein 3D structure prediction

(2008) Yang Zhang   BMC BIOINFORMATICS

GridMAT-MD: A grid-based membrane analysis tool for use with molecular dynamics

(2008) William J. Allen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Modeling and Molecular Dynamics Simulation of the Human Gonadotropin-Releasing Hormone Receptor in a Lipid Bilayer

(2008) Eduardo Jardón-Valadez et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Gonadotropin-Releasing Hormone Analog Structural Determinants of Selectivity for Inhibition of Cell Growth: Support for the Concept of Ligand-Induced Selective Signaling

(2008) Rakel López de Maturana et al.   MOLECULAR ENDOCRINOLOGY

Diversity of actions of GnRHs mediated by ligand-induced selective signaling

(2007) Robert P. Millar et al.   FRONTIERS IN NEUROENDOCRINOLOGY