| scholarly article | Q13442814 |
| P50 | author | Frederick Monsma | Q56885210 |
| Claudio N. Cavasotto | Q54867248 | ||
| P2093 | author name string | Ruben A Abagyan | |
| Johannes H Voigt | |||
| Marvin L Bayne | |||
| Nicholas J Murgolo | |||
| Brian E Hawes | |||
| Andrew J W Orry | |||
| Michael F Czarniecki | |||
| Heather Hine | |||
| Kim A O'Neill | |||
| Marybeth S Burton | |||
| Sue Ann Kocsi | |||
| P2860 | cites work | Melanin-concentrating hormone is the cognate ligand for the orphan G-protein-coupled receptor SLC-1 | Q22010429 |
| Molecular characterization of the melanin-concentrating-hormone receptor | Q22010430 | ||
| Virtual screening using protein-ligand docking: avoiding artificial enrichment | Q53639582 | ||
| P433 | issue | 3 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | G protein-coupled receptor | Q38173 |
| protein structure | Q735188 | ||
| chemotype | Q2212766 | ||
| P304 | page(s) | 581-588 | |
| P577 | publication date | 2008-01-17 | |
| P1433 | published in | Journal of Medicinal Chemistry | Q900316 |
| P1476 | title | Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening | |
| P478 | volume | 51 |
| Q35685828 | 2,3-Dihydro-1-benzofuran derivatives as a series of potent selective cannabinoid receptor 2 agonists: design, synthesis, and binding mode prediction through ligand-steered modeling. |
| Q43992927 | A modeling study for structure features of β-N-acetyl-D-hexosaminidase from Ostrinia furnacalis and its novel inhibitor allosamidin: species selectivity and multi-target characteristics |
| Q38089182 | A perspective on more effective GPCR-targeted drug discovery efforts. |
| Q34402706 | ALiBERO: Evolving a Team of Complementary Pocket Conformations Rather than a Single Leader |
| Q28082537 | Advancements in therapeutically targeting orphan GPCRs |
| Q30369189 | Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65. |
| Q28256939 | Automated docking screens: a feasibility study |
| Q35752199 | Biased signaling: potential agonist and antagonist of PAR2. |
| Q37810288 | Cellular models for the study of the pharmacology and signaling of melanin-concentrating hormone receptors |
| Q24633082 | Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor |
| Q34647300 | Development of 7TM receptor-ligand complex models using ligand-biased, semi-empirical helix-bundle repacking in torsion space: application to the agonist interaction of the human dopamine D2 receptor |
| Q30396236 | Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction |
| Q33730325 | Docking Methods for Structure-Based Library Design |
| Q37592631 | Docking and chemoinformatic screens for new ligands and targets |
| Q36098710 | Docking and scoring with ICM: the benchmarking results and strategies for improvement |
| Q30380679 | Docking screens: right for the right reasons? |
| Q34561020 | Docking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models. |
| Q38976083 | Expanding the horizons of G protein-coupled receptor structure-based ligand discovery and optimization using homology models. |
| Q34670175 | Fighting Obesity with a Sugar-Based Library: Discovery of Novel MCH-1R Antagonists by a New Computational–VAST Approach for Exploration of GPCR Binding Sites |
| Q34153589 | From laptop to benchtop to bedside: structure-based drug design on protein targets. |
| Q47750928 | Function and structure-based screening of compounds, peptides and proteins to identify drug candidates. |
| Q33926350 | Functionalized congener approach to the design of ligands for G protein-coupled receptors (GPCRs). |
| Q30437388 | GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex |
| Q37182100 | Galaxy7TM: flexible GPCR-ligand docking by structure refinement |
| Q38088365 | High-throughput and in silico screenings in drug discovery. |
| Q30424335 | Homology modeling a fast tool for drug discovery: current perspectives |
| Q35967081 | Homology modeling of class a G protein-coupled receptors |
| Q36094653 | Identification of Novel Smoothened Ligands Using Structure-Based Docking |
| Q41583442 | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. |
| Q33400428 | Identifying conformational changes of the beta(2) adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators |
| Q43161102 | Improved model of lanosterol 14alpha-demethylase by ligand-supported homology modeling: validation by virtual screening and azole optimization |
| Q50963746 | Integrating Pharmacophore into Membrane Molecular Dynamics Simulations to Improve Homology Modeling of G Protein-coupled Receptors with Ligand Selectivity: A2A Adenosine Receptor as an Example |
| Q34978520 | Isoform selectivity of adenylyl cyclase inhibitors: characterization of known and novel compounds |
| Q42009373 | Large multiple transmembrane domain fragments of a G protein-coupled receptor: biosynthesis, purification, and biophysical studies |
| Q34100662 | Ligand and Decoy Sets for Docking to G Protein-Coupled Receptors |
| Q33636089 | Ligand and structure-based models for the prediction of ligand-receptor affinities and virtual screenings: Development and application to the beta(2)-adrenergic receptor |
| Q31031038 | Ligand discovery from a dopamine D3 receptor homology model and crystal structure |
| Q28533958 | Ligand pose and orientational sampling in molecular docking |
| Q33787996 | Ligand supported homology modeling and docking evaluation of CCR2: docked pose selection by consensus scoring |
| Q39816632 | Ligand-Steered Modeling and Docking: A Benchmarking Study in Class A G-Protein-Coupled Receptors |
| Q36316392 | Ligand-guided homology modelling of the GABAB2 subunit of the GABAB receptor |
| Q44789723 | Ligand-guided optimization of CXCR4 homology models for virtual screening using a multiple chemotype approach. |
| Q37539924 | Mastering tricyclic ring systems for desirable functional cannabinoid activity |
| Q45943415 | Methods for Virtual Screening of GPCR Targets: Approaches and Challenges. |
| Q30355473 | Modelling three-dimensional protein structures for applications in drug design. |
| Q87407927 | Molecular Docking Methodologies |
| Q57176854 | Molecular Modeling of Drug-Transporter Interactions-An International Transporter Consortium Perspective |
| Q33751096 | Molecular modeling and ligand docking for solute carrier (SLC) transporters |
| Q26991761 | New Insights for Drug Design from the X-Ray Crystallographic Structures of G-Protein-Coupled Receptors |
| Q34956263 | New Insights into the Binding Mode of Melanin Concentrating Hormone Receptor-1 Antagonists: Homology Modeling and Explicit Membrane Molecular Dynamics Simulation Study |
| Q33718901 | Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins |
| Q41842363 | Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies |
| Q33463659 | One-pot, three-component, domino Heck-aza-Michael approach to libraries of functionalized 1,1-dioxido-1,2-benzisothiazoline-3-acetic acids |
| Q34060024 | Predicting protein ligand binding motions with the conformation explorer |
| Q36242719 | Predicting the Biological Activities Through QSAR Analysis and Docking-Based Scoring |
| Q56985645 | Prediction of a Ligand-Binding Niche within a Human Olfactory Receptor by Combining Site-Directed Mutagenesis with Dynamic Homology Modeling |
| Q51426107 | Preparation and Refinement of Model Protein–Ligand Complexes |
| Q34358923 | Profiling the interaction mechanism of quinoline/quinazoline derivatives as MCHR1 antagonists: an in silico method |
| Q37880053 | Progress in structure based drug design for G protein-coupled receptors |
| Q57175255 | Recent Trends and Applications of Molecular Modeling in GPCR⁻Ligand Recognition and Structure-Based Drug Design |
| Q37416441 | Recent advances in structure-based virtual screening of G-protein coupled receptors |
| Q55325728 | Salvianolic acids from antithrombotic Traditional Chinese Medicine Danshen are antagonists of human P2Y1 and P2Y12 receptors. |
| Q28728561 | Software and resources for computational medicinal chemistry |
| Q42863821 | Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment |
| Q90692545 | Structural Genomics of SARS-CoV-2 Indicates Evolutionary Conserved Functional Regions of Viral Proteins |
| Q57015852 | Structure and Modeling of GPCRs: Implications for Drug Discovery |
| Q34306247 | Structure based prediction of subtype-selectivity for adenosine receptor antagonists |
| Q45901542 | Structure prediction and molecular dynamics simulations of a G-protein coupled receptor: human CCR2 receptor. |
| Q35229337 | Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET. |
| Q35887252 | Structure-based ligand discovery for the protein–protein interface of chemokine receptor CXCR4 |
| Q56991997 | Structure‐Based Discovery of Allosteric Modulators of Two Related Class B G‐Protein‐Coupled Receptors |
| Q94589436 | Study of combining virtual screening and antiviral treatments of the Sars-CoV-2 (Covid-19) |
| Q30382761 | Template-based protein modeling: recent methodological advances. |
| Q36351644 | The BigLEN-GPR171 Peptide Receptor System Within the Basolateral Amygdala Regulates Anxiety-Like Behavior and Contextual Fear Conditioning |
| Q84603072 | The Family of G Protein-Coupled Receptors: An Example of Membrane Proteins |
| Q33683166 | The GPR139 reference agonists 1a and 7c, and tryptophan and phenylalanine share a common binding site |
| Q46208929 | The binding mode of petrosaspongiolide M to the human group IIA phospholipase A(2): exploring the role of covalent and noncovalent interactions in the inhibition process |
| Q34286648 | The flexible pocketome engine for structural chemogenomics |
| Q27687653 | Understanding functional residues of the cannabinoid CB1. |
| Q37967933 | Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors |
| Q33599508 | Virtual ligand screening of the p300/CBP histone acetyltransferase: identification of a selective small molecule inhibitor |
| Q33367388 | Virtual screening of GPCRs: an in silico chemogenomics approach |
Search more.