| Year |
Citation |
Score |
| 2024 |
Strauss A, Gonzalez-Hernandez AJ, Lee J, Abreu N, Selvakumar P, Salas-Estrada L, Kristt M, Arefin A, Huynh K, Marx DC, Gilliland K, Melancon BJ, Filizola M, Meyerson J, Levitz J. Structural basis of positive allosteric modulation of metabotropic glutamate receptor activation and internalization. Nature Communications. 15: 6498. PMID 39090128 DOI: 10.1038/s41467-024-50548-x |
0.431 |
|
| 2024 |
Zilberg G, Parpounas AK, Warren AL, Fiorillo B, Provasi D, Filizola M, Wacker D. Structural insights into the unexpected agonism of tetracyclic antidepressants at serotonin receptors 5-HTR and 5-HTR. Science Advances. 10: eadk4855. PMID 38630816 DOI: 10.1126/sciadv.adk4855 |
0.395 |
|
| 2024 |
Felt K, Stauffer M, Salas-Estrada L, Guzzo PR, Xie D, Huang J, Filizola M, Chakrapani S. Structural basis for partial agonism in 5-HT receptors. Nature Structural & Molecular Biology. PMID 38177669 DOI: 10.1038/s41594-023-01140-2 |
0.408 |
|
| 2023 |
Strauss A, Gonzalez-Hernandez AJ, Lee J, Abreu N, Selvakumar P, Salas-Estrada L, Kristt M, Marx DC, Gilliland K, Melancon BJ, Filizola M, Meyerson J, Levitz J. Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization. Biorxiv : the Preprint Server For Biology. PMID 37645747 DOI: 10.1101/2023.08.13.552748 |
0.431 |
|
| 2023 |
Ahn D, Provasi D, Duc NM, Xu J, Salas-Estrada L, Spasic A, Yun MW, Kang J, Gim D, Lee J, Du Y, Filizola M, Chung KY. Gαs slow conformational transition upon GTP binding and a novel Gαs regulator. Iscience. 26: 106603. PMID 37128611 DOI: 10.1016/j.isci.2023.106603 |
0.387 |
|
| 2022 |
Salas-Estrada L, Fiorillo B, Filizola M. Metadynamics simulations leveraged by statistical analyses and artificial intelligence-based tools to inform the discovery of G protein-coupled receptor ligands. Frontiers in Endocrinology. 13: 1099715. PMID 36619585 DOI: 10.3389/fendo.2022.1099715 |
0.458 |
|
| 2022 |
Sen S, Spasic A, Sinha A, Wang J, Bush M, Li J, Nešić D, Zhou Y, Angiulli G, Morgan P, Salas-Estrada L, Takagi J, Walz T, Coller BS, Filizola M. Structure-Based Discovery of a Novel Class of Small-Molecule Pure Antagonists of Integrin αVβ3. Journal of Chemical Information and Modeling. PMID 36279366 DOI: 10.1021/acs.jcim.2c00999 |
0.314 |
|
| 2021 |
Thibado JK, Tano JY, Lee J, Salas-Estrada L, Provasi D, Strauss A, Marcelo Lamim Ribeiro J, Xiang G, Broichhagen J, Filizola M, Lohse MJ, Levitz J. Differences in interactions between transmembrane domains tune the activation of metabotropic glutamate receptors. Elife. 10. PMID 33880992 DOI: 10.7554/eLife.67027 |
0.392 |
|
| 2020 |
Zhou Y, Ramsey S, Provasi D, El Daibani A, Appourchaux K, Chakraborty S, Kapoor A, Che T, Majumdar S, Filizola M. Predicted Mode of Binding to and Allosteric Modulation of the μ-Opioid Receptor by Kratom's Alkaloids with Reported Antinociception . Biochemistry. PMID 33274929 DOI: 10.1021/acs.biochem.0c00658 |
0.326 |
|
| 2020 |
Basak S, Kumar A, Ramsey S, Gibbs E, Kapoor A, Filizola M, Chakrapani S. High-resolution structures of multiple 5-HTR-setron complexes reveal a novel mechanism of competitive inhibition. Elife. 9. PMID 33063666 DOI: 10.7554/eLife.57870 |
0.339 |
|
| 2020 |
Lamim Ribeiro JM, Provasi D, Filizola M. A combination of machine learning and infrequent metadynamics to efficiently predict kinetic rates, transition states, and molecular determinants of drug dissociation from G protein-coupled receptors. The Journal of Chemical Physics. 153: 124105. PMID 33003748 DOI: 10.1063/5.0019100 |
0.311 |
|
| 2020 |
Rodríguez-Espigares I, Torrens-Fontanals M, Tiemann JKS, Aranda-García D, Ramírez-Anguita JM, Stepniewski TM, Worp N, Varela-Rial A, Morales-Pastor A, Medel-Lacruz B, Pándy-Szekeres G, Mayol E, Giorgino T, Carlsson J, Deupi X, ... ... Filizola M, et al. Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature Methods. PMID 32704182 DOI: 10.1038/S41592-020-0928-3 |
0.641 |
|
| 2020 |
Kapoor A, Provasi D, Filizola M. Atomic-Level Characterization of the Methadone-Stabilized Active Conformation of µ-Opioid Receptor. Molecular Pharmacology. PMID 32680919 DOI: 10.1124/Mol.119.119339 |
0.456 |
|
| 2020 |
Rodríguez-Espigares I, Torrens-Fontanals M, Tiemann JKS, Aranda-García D, Ramírez-Anguita JM, Stepniewski TM, Worp N, Varela-Rial A, Morales-Pastor A, Medel-Lacruz B, Pándy-Szekeres G, Mayol E, Giorgino T, Carlsson J, Deupi X, ... ... Filizola M, et al. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature Methods. PMID 32661425 DOI: 10.1038/S41592-020-0884-Y |
0.726 |
|
| 2020 |
Nešić D, Zhang Y, Spasic A, Li J, Provasi D, Filizola M, Walz T, Coller BS. Cryo-Electron Microscopy Structure of the αIIbβ3-Abciximab Complex. Arteriosclerosis, Thrombosis, and Vascular Biology. ATVBAHA119313671. PMID 31969014 DOI: 10.1161/Atvbaha.119.313671 |
0.348 |
|
| 2020 |
Ramsey S, Provasi D, Moeller J, Lohse M, Filizola M. Efficient Prediction of the Effect of Mutations on the Activation Kinetics of G Protein-Coupled Receptors Using a Maximum Caliber Approach Biophysical Journal. 118: 92a-93a. DOI: 10.1016/J.Bpj.2019.11.670 |
0.425 |
|
| 2020 |
Kapoor A, Provasi D, Filizola M. Atomic-Level Characterization of the Distinct Methadone-Induced Conformational Sampling and Activation Kinetics of the µ-Opioid Receptor by Molecular Simulations Biophysical Journal. 118: 92a. DOI: 10.1016/J.Bpj.2019.11.667 |
0.439 |
|
| 2020 |
Spasic A, Provasi D, Nesic D, Zhang Y, Li J, Coller BS, Walz T, Filizola M. Molecular Dynamicssimulations of A 2.8-Å Resolution Cryo-EM Structure of the αIIbβ3-Abciximab Complex Biophysical Journal. 118: 505a-506a. DOI: 10.1016/J.Bpj.2019.11.2786 |
0.319 |
|
| 2019 |
Li J, Fukase Y, Shang Y, Zou W, Muñoz-Félix JM, Buitrago L, van Agthoven J, Zhang Y, Hara R, Tanaka Y, Okamoto R, Yasui T, Nakahata T, Imaeda T, Aso K, ... ... Filizola M, et al. Novel Pure αVβ3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations. Acs Pharmacology & Translational Science. 2: 387-401. PMID 32259072 DOI: 10.1021/acsptsci.9b00041 |
0.375 |
|
| 2019 |
Hu X, Provasi D, Ramsey S, Filizola M. Mechanism of μ-Opioid Receptor-Magnesium Interaction and Positive Allosteric Modulation. Biophysical Journal. PMID 31676132 DOI: 10.1016/J.Bpj.2019.10.007 |
0.488 |
|
| 2019 |
Hughes TE, Del Rosario JS, Kapoor A, Yazici AT, Yudin Y, Fluck EC, Filizola M, Rohacs T, Moiseenkova-Bell VY. Structure-based characterization of novel TRPV5 inhibitors. Elife. 8. PMID 31647410 DOI: 10.7554/Elife.49572 |
0.342 |
|
| 2019 |
Ribeiro JML, Filizola M. Insights From Molecular Dynamics Simulations of a Number of G-Protein Coupled Receptor Targets for the Treatment of Pain and Opioid Use Disorders. Frontiers in Molecular Neuroscience. 12: 207. PMID 31507375 DOI: 10.3389/Fnmol.2019.00207 |
0.435 |
|
| 2019 |
Bonomi M, Bussi G, Camilloni C, Tribello GA, Banáš P, Barducci A, Bernetti M, Bolhuis PG, Bottaro S, Branduardi D, Capelli R, Carloni P, Ceriotti M, Cesari A, Chen H, ... ... Filizola M, et al. Promoting transparency and reproducibility in enhanced molecular simulations Nature Methods. 16: 670-673. PMID 31363226 DOI: 10.1038/S41592-019-0506-8 |
0.304 |
|
| 2019 |
Basak S, Gicheru Y, Kapoor A, Mayer ML, Filizola M, Chakrapani S. Molecular mechanism of setron-mediated inhibition of full-length 5-HT receptor. Nature Communications. 10: 3225. PMID 31324772 DOI: 10.2210/Pdb6Np0/Pdb |
0.428 |
|
| 2019 |
Lamim Ribeiro JM, Filizola M. Allostery in G protein-coupled receptors investigated by molecular dynamics simulations. Current Opinion in Structural Biology. 55: 121-128. PMID 31096158 DOI: 10.1016/J.Sbi.2019.03.016 |
0.564 |
|
| 2019 |
Hu X, Wang Y, Hunkele A, Provasi D, Pasternak GW, Filizola M. Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis. Plos Computational Biology. 15: e1006689. PMID 30677023 DOI: 10.1371/Journal.Pcbi.1006689 |
0.596 |
|
| 2019 |
Hu X, Provasi D, Filizola M. Thermodynamics and Kinetics of the Divalent-Monovalent Cation Competition for Binding Sites at the μ-Opioid Receptor Biophysical Journal. 116. DOI: 10.1016/J.Bpj.2018.11.1281 |
0.417 |
|
| 2018 |
Meral D, Provasi D, Filizola M. An efficient strategy to estimate thermodynamics and kinetics of G protein-coupled receptor activation using metadynamics and maximum caliber. The Journal of Chemical Physics. 149: 224101. PMID 30553249 DOI: 10.1063/1.5060960 |
0.518 |
|
| 2018 |
Walsh SM, Mathiasen S, Christensen SM, Fay JF, King C, Provasi D, Borrero E, Rasmussen SGF, Fung JJ, Filizola M, Hristova K, Kobilka B, Farrens DL, Stamou D. Single Proteoliposome High-Content Analysis Reveals Differences in the Homo-Oligomerization of GPCRs. Biophysical Journal. 115: 300-312. PMID 30021106 DOI: 10.1016/J.Bpj.2018.05.036 |
0.528 |
|
| 2018 |
Meral D, Provasi D, Prada-Gracia D, Möller J, Marino K, Lohse MJ, Filizola M. Molecular details of dimerization kinetics reveal negligible populations of transient µ-opioid receptor homodimers at physiological concentrations. Scientific Reports. 8: 7705. PMID 29769636 DOI: 10.1038/S41598-018-26070-8 |
0.505 |
|
| 2018 |
Filizola M. Insights from molecular dynamics simulations to exploit new trends for the development of improved opioid drugs. Neuroscience Letters. PMID 29466721 DOI: 10.1016/J.Neulet.2018.02.037 |
0.393 |
|
| 2018 |
Hughes TET, Lodowski DT, Huynh KW, Yazici A, Del Rosario J, Kapoor A, Basak S, Samanta A, Han X, Chakrapani S, Zhou ZH, Filizola M, Rohacs T, Han S, Moiseenkova-Bell VY. Structural basis of TRPV5 channel inhibition by econazole revealed by cryo-EM. Nature Structural & Molecular Biology. 25: 53-60. PMID 29323279 DOI: 10.1038/S41594-017-0009-1 |
0.351 |
|
| 2018 |
Marino KA, Filizola M. Investigating Small-Molecule Ligand Binding to G Protein-Coupled Receptors with Biased or Unbiased Molecular Dynamics Simulations. Methods in Molecular Biology (Clifton, N.J.). 1705: 351-364. PMID 29188572 DOI: 10.1007/978-1-4939-7465-8_17 |
0.553 |
|
| 2018 |
Hu X, Wang Y, Provasi D, Filizola M. Kinetic Details of the Interplay between Sodium Binding and Opioid Receptor Signaling Biophysical Journal. 114. DOI: 10.1016/J.Bpj.2017.11.620 |
0.58 |
|
| 2018 |
Meral D, Provasi D, Filizola M. An Efficient Molecular Dynamics Simulation Strategy to Investigate the Mechanistic Basis for Biased Agonism at G Protein-Coupled Receptors Biophysical Journal. 114. DOI: 10.1016/J.Bpj.2017.11.1129 |
0.482 |
|
| 2017 |
Zafar H, Shang Y, Li J, David GA, Fernandez JP, Molina H, Filizola M, Coller BS. αIIbβ3 binding to a fibrinogen fragment lacking the γ-chain dodecapeptide is activation dependent and EDTA inducible. Blood Advances. 1: 417-428. PMID 29296957 DOI: 10.1182/Bloodadvances.2017004689 |
0.345 |
|
| 2017 |
Yano H, Provasi D, Cai NS, Filizola M, Ferre S, Javitch JA. Development of novel biosensors to study receptor-mediated activation of Gs and Golf. The Journal of Biological Chemistry. PMID 29042444 DOI: 10.1074/Jbc.M117.800698 |
0.552 |
|
| 2017 |
Kapoor A, Martinez-Rosell G, Provasi D, de Fabritiis G, Filizola M. Dynamic and Kinetic Elements of µ-Opioid Receptor Functional Selectivity. Scientific Reports. 7: 11255. PMID 28900175 DOI: 10.1038/S41598-017-11483-8 |
0.508 |
|
| 2017 |
Marino KA, Shang Y, Filizola M. Insights into the Function of Opioid Receptors from Molecular Dynamics Simulations of Available Crystal Structures. British Journal of Pharmacology. PMID 28266020 DOI: 10.1111/Bph.13774 |
0.542 |
|
| 2017 |
Prada-Gracia D, Marino K, Provasi D, Filizola M. Kinetics of G Protein-Coupled Receptor Dimerization from Markov State Model Analysis of Coarse-Grained Simulations Biophysical Journal. 112: 27a. DOI: 10.1016/J.Bpj.2016.11.181 |
0.57 |
|
| 2016 |
Marino KA, Prada-Gracia D, Provasi D, Filizola M. Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane Model. Plos Computational Biology. 12: e1005240. PMID 27959924 DOI: 10.1371/Journal.Pcbi.1005240 |
0.496 |
|
| 2016 |
Crowley RS, Riley AP, Sherwood AM, Groer CE, Shivaperumal N, Biscaia M, Paton K, Schneider S, Provasi D, Kivell BM, Filizola M, Prisinzano TE. Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting μ Opioid Analgesic with Reduced Abuse Liability. Journal of Medicinal Chemistry. PMID 27958743 DOI: 10.1021/Acs.Jmedchem.6B01235 |
0.417 |
|
| 2016 |
Schneider S, Provasi D, Filizola M. How Oliceridine (TRV-130) Binds and Stabilizes a μ-Opioid Receptor Conformational State that Selectively Triggers G Protein-Signaling Pathways. Biochemistry. PMID 27778501 DOI: 10.1021/Acs.Biochem.6B00948 |
0.539 |
|
| 2016 |
Wardman JH, Gomes I, Bobeck EN, Stockert JA, Kapoor A, Bisignano P, Gupta A, Mezei M, Kumar S, Filizola M, Devi LA. Identification of a small-molecule ligand that activates the neuropeptide receptor GPR171 and increases food intake. Science Signaling. 9: ra55. PMID 27245612 DOI: 10.1126/Scisignal.Aac8035 |
0.39 |
|
| 2016 |
Kruegel AC, Gassaway MM, Kapoor A, Váradi A, Majumdar S, Filizola M, Javitch JA, Sames D. Synthetic and Receptor Signaling Explorations of the Mitragyna Alkaloids: Mitragynine as an Atypical Molecular Framework for Opioid Receptor Modulators. Journal of the American Chemical Society. PMID 27192616 DOI: 10.1021/Jacs.6B00360 |
0.453 |
|
| 2016 |
Shang Y, Yeatman HR, Provasi D, Alt A, Christopoulos A, Canals M, Filizola M. Proposed Mode of Binding and Action of Positive Allosteric Modulators at Opioid Receptors. Acs Chemical Biology. PMID 26841170 DOI: 10.1021/Acschembio.5B00712 |
0.511 |
|
| 2016 |
Schneider S, Provasi D, Saylor R, Prisinzano T, Filizola M. Predicted mode of Binding of Non-Nitrogenous μ-Opioid Receptor Ligands by Metadynamics Biophysical Journal. 110: 90a. DOI: 10.1016/J.Bpj.2015.11.544 |
0.501 |
|
| 2016 |
Schneider S, Provasi D, Filizola M. Binding Pathways of a G-Protein Biased μ-opioid Receptor agonist under Clinical Evaluation Biophysical Journal. 110: 591a. DOI: 10.1016/J.Bpj.2015.11.3155 |
0.499 |
|
| 2016 |
Marino KA, Provasi D, Filizola M. Supra-Molecular Organization of the Crystallographic Conformations of Inactive and Activated μ-Opioid Receptor in a Multi-Component Plasma Membrane Model Biophysical Journal. 110. DOI: 10.1016/J.Bpj.2015.11.3154 |
0.53 |
|
| 2015 |
Filizola M. Preface. G Protein-Coupled Receptors in Drug Discovery. Methods in Molecular Biology (Clifton, N.J.). 1335: v. PMID 26478939 DOI: 10.1007/978-1-4939-2914-6 |
0.451 |
|
| 2015 |
Bisignano P, Burford NT, Shang Y, Marlow B, Livingston KE, Fenton AM, Rockwell K, Budenholzer L, Traynor JR, Gerritz SW, Alt A, Filizola M. Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor. Journal of Chemical Information and Modeling. PMID 26347990 DOI: 10.1021/Acs.Jcim.5B00388 |
0.482 |
|
| 2015 |
Schneider S, Provasi D, Filizola M. The Dynamic Process of Drug-GPCR Binding at Either Orthosteric or Allosteric Sites Evaluated by Metadynamics. Methods in Molecular Biology (Clifton, N.J.). 1335: 277-94. PMID 26260607 DOI: 10.1007/978-1-4939-2914-6_18 |
0.52 |
|
| 2015 |
Shang Y, Filizola M. Opioid receptors: Structural and mechanistic insights into pharmacology and signaling. European Journal of Pharmacology. PMID 25981301 DOI: 10.1016/J.Ejphar.2015.05.012 |
0.502 |
|
| 2015 |
Burford NT, Livingston KE, Canals M, Ryan MR, Budenholzer LM, Han Y, Shang Y, Herbst JJ, O'Connell J, Banks M, Zhang L, Filizola M, Bassoni DL, Wehrman TS, Christopoulos A, et al. Discovery, Synthesis, and Molecular Pharmacology of Selective Positive Allosteric Modulators of the δ-Opioid Receptor. Journal of Medicinal Chemistry. 58: 4220-9. PMID 25901762 DOI: 10.1021/Acs.Jmedchem.5B00007 |
0.52 |
|
| 2015 |
Provasi D, Boz MB, Johnston JM, Filizola M. Preferred supramolecular organization and dimer interfaces of opioid receptors from simulated self-association. Plos Computational Biology. 11: e1004148. PMID 25822938 DOI: 10.1371/Journal.Pcbi.1004148 |
0.489 |
|
| 2015 |
Schneider S, Provasi D, Filizola M. Molecular Determinants and Kinetic Parameters of Ligand Binding to G Protein-Coupled Receptors using Markov State Model Analysis Biophysical Journal. 108: 97. DOI: 10.1016/J.Bpj.2014.11.558 |
0.478 |
|
| 2015 |
Shang Y, Yeatman HR, Burford N, Livingston K, Bisignano P, Traynor J, Alt A, Christopoulos A, Canals M, Filizola M. Binding Pockets and Poses of Allosteric Modulators of Opioid Receptors Identified by Metadynamics Biophysical Journal. 108: 4-5. DOI: 10.1016/J.Bpj.2014.11.2274 |
0.51 |
|
| 2015 |
Bisignano P, Burford NT, Gerritz SW, Alt A, Filizola M. Structure-Guided Discovery of Positive Allosteric Modulators of the Mu-Opioid Receptor Biophysical Journal. 108. DOI: 10.1016/J.Bpj.2014.11.2273 |
0.448 |
|
| 2015 |
Provasi D, Bisignano P, Filizola M. Biased Agonism at Opioid Receptors: Insights from Analysis of Structural Interaction Fingerprints Biophysical Journal. 108: 350a. DOI: 10.1016/J.Bpj.2014.11.1916 |
0.537 |
|
| 2014 |
Shang Y, LeRouzic V, Schneider S, Bisignano P, Pasternak GW, Filizola M. Mechanistic insights into the allosteric modulation of opioid receptors by sodium ions. Biochemistry. 53: 5140-9. PMID 25073009 DOI: 10.1021/Bi5006915 |
0.52 |
|
| 2014 |
Provasi D, Negri A, Coller BS, Filizola M. Talin-driven inside-out activation mechanism of platelet αIIbβ3 integrin probed by multimicrosecond, all-atom molecular dynamics simulations. Proteins. 82: 3231-40. PMID 24677266 DOI: 10.1002/Prot.24540 |
0.353 |
|
| 2014 |
Johnston JM, Filizola M. Differential stability of the crystallographic interfaces of mu- and kappa-opioid receptors. Plos One. 9: e90694. PMID 24651466 DOI: 10.1371/Journal.Pone.0090694 |
0.484 |
|
| 2014 |
Ferré S, Casadó V, Devi LA, Filizola M, Jockers R, Lohse MJ, Milligan G, Pin JP, Guitart X. G protein-coupled receptor oligomerization revisited: functional and pharmacological perspectives. Pharmacological Reviews. 66: 413-34. PMID 24515647 DOI: 10.1124/Pr.113.008052 |
0.552 |
|
| 2014 |
Jiang JK, McCoy JG, Shen M, LeClair CA, Huang W, Negri A, Li J, Blue R, Harrington AW, Naini S, David G, Choi WS, Volpi E, Fernandez J, Babayeva M, ... ... Filizola M, et al. A novel class of ion displacement ligands as antagonists of the αIIbβ3 receptor that limit conformational reorganization of the receptor. Bioorganic & Medicinal Chemistry Letters. 24: 1148-53. PMID 24461295 DOI: 10.1016/J.Bmcl.2013.12.122 |
0.459 |
|
| 2014 |
Johnston JM, Filizola M. Beyond standard molecular dynamics: investigating the molecular mechanisms of G protein-coupled receptors with enhanced molecular dynamics methods. Advances in Experimental Medicine and Biology. 796: 95-125. PMID 24158803 DOI: 10.1007/978-94-007-7423-0_6 |
0.512 |
|
| 2014 |
Scarabelli G, Provasi D, Negri A, Filizola M. Bioactive conformations of two seminal delta opioid receptor penta-peptides inferred from free-energy profiles. Biopolymers. 101: 21-7. PMID 23564013 DOI: 10.1002/Bip.22251 |
0.51 |
|
| 2014 |
Shang Y, Le Rouzic V, Pasternak GW, Filizola M. A Molecular-Level Investigation of the Effect of Sodium Ions on the Binding of Opioid Ligands to their Receptors Biophysical Journal. 106: 105a. DOI: 10.1016/J.Bpj.2013.11.649 |
0.501 |
|
| 2014 |
Schneider S, Provasi D, Filizola M. Towards the Rational Design of Opioids with Desired Binding Kinetics Biophysical Journal. 106: 308a. DOI: 10.1016/J.Bpj.2013.11.1785 |
0.486 |
|
| 2014 |
Burak Boz M, Johnston JM, Filizola M. Preferred Homo- and Hetero-Dimeric Configurations of All Major Opioid Receptor Subtypes as Predicted by Simulated Self-Association in Explicit Lipid-Water Environment Biophysical Journal. 106: 306a-307a. DOI: 10.1016/J.Bpj.2013.11.1777 |
0.52 |
|
| 2013 |
Mondal S, Johnston JM, Wang H, Khelashvili G, Filizola M, Weinstein H. Membrane driven spatial organization of GPCRs. Scientific Reports. 3: 2909. PMID 24105260 DOI: 10.1038/Srep02909 |
0.596 |
|
| 2013 |
Gomes I, Fujita W, Gupta A, Saldanha SA, Saldanha AS, Negri A, Pinello CE, Eberhart C, Roberts E, Filizola M, Hodder P, Devi LA. Identification of a μ-δ opioid receptor heteromer-biased agonist with antinociceptive activity. Proceedings of the National Academy of Sciences of the United States of America. 110: 12072-7. PMID 23818586 DOI: 10.1073/Pnas.1222044110 |
0.482 |
|
| 2013 |
Negri A, Rives ML, Caspers MJ, Prisinzano TE, Javitch JA, Filizola M. Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening. Journal of Chemical Information and Modeling. 53: 521-6. PMID 23461591 DOI: 10.1021/Ci400019T |
0.481 |
|
| 2013 |
Coudray N, Valvo S, Hu M, Lasala R, Kim C, Vink M, Zhou M, Provasi D, Filizola M, Tao J, Fang J, Penczek PA, Ubarretxena-Belandia I, Stokes DL. Inward-facing conformation of the zinc transporter YiiP revealed by cryoelectron microscopy. Proceedings of the National Academy of Sciences of the United States of America. 110: 2140-5. PMID 23341604 DOI: 10.1073/Pnas.1215455110 |
0.34 |
|
| 2013 |
Filizola M, Devi LA. Grand opening of structure-guided design for novel opioids. Trends in Pharmacological Sciences. 34: 6-12. PMID 23127545 DOI: 10.1016/J.Tips.2012.10.002 |
0.504 |
|
| 2013 |
Scarabelli G, Provasi D, Negri A, Filizola M. Mapping the Conformational Free-Energy Landscape of Classical Opioid Peptides using Extensive Molecular Dynamics and Bias Exchange Metadynamics Simulations Biophysical Journal. 104: 116a. DOI: 10.1016/J.Bpj.2012.11.672 |
0.532 |
|
| 2013 |
Borrero EE, Provasi D, Mathiasen S, Stamou D, Filizola M. A Computational Investigation of the Effect of Membrane Curvature on G-Protein Coupled Receptor Oligomerization Biophysical Journal. 104: 114a. DOI: 10.1016/J.Bpj.2012.11.662 |
0.49 |
|
| 2013 |
Johnston JM, Filizola M. On the Relative Stability of Dimeric Interfaces of the Mu-Opioid Receptor Inferred from Recent Crystallographic Studies Biophysical Journal. 104: 114a. DOI: 10.1016/J.Bpj.2012.11.661 |
0.52 |
|
| 2013 |
Negri A, Choi W, Coller BS, Filizola M. Using Hybrid Methods to Refine a Complete Atomic Structure of the Human Integrin αIIbβ3 Ectodomain into a Low-Resolution Electron Microscopy Map of the Intact Receptor in Nanodiscs Biophysical Journal. 104: 70a-71a. DOI: 10.1016/J.Bpj.2012.11.426 |
0.417 |
|
| 2013 |
Negri A, Borrero EE, Provasi D, Coller BS, Filizola M. Assessing Metal Ion Preference for the Metal Ion-Dependent Adhesion Site (MIDAS) of Platelet Integrin αIIbβ3 Biophysical Journal. 104: 608a-609a. DOI: 10.1016/J.Bpj.2012.11.3374 |
0.322 |
|
| 2013 |
Mathiasen S, Tonnesen A, Christensen S, Jose Fung J, Faarup Rasmussen SG, Borrero E, Provasi D, Filizola M, Kobilka B, Stamou D. Membrane Curvature Regulates the Oligomerization of Human β2-Adrenergic Receptors Biophysical Journal. 104: 42a. DOI: 10.1016/J.Bpj.2012.11.269 |
0.374 |
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| 2013 |
Yano H, Provasi D, Filizola M, Javitch J. Towards Better Understanding of G(s) Coupling in Catecholamine Receptors Catecholamine Research in the 21st Century: Abstracts and Graphical Abstracts, 10th International Catecholamine Symposium, 2012. 89-90. DOI: 10.1016/B978-0-12-800044-1.00076-3 |
0.338 |
|
| 2012 |
Johnston JM, Wang H, Provasi D, Filizola M. Assessing the relative stability of dimer interfaces in g protein-coupled receptors. Plos Computational Biology. 8: e1002649. PMID 22916005 DOI: 10.1371/Journal.Pcbi.1002649 |
0.532 |
|
| 2012 |
Negri A, Li J, Naini S, Coller BS, Filizola M. Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand. Journal of Computer-Aided Molecular Design. 26: 1005-15. PMID 22893377 DOI: 10.1007/S10822-012-9594-6 |
0.436 |
|
| 2012 |
Filizola M, Devi LA. Structural biology: How opioid drugs bind to receptors. Nature. 485: 314-7. PMID 22596150 DOI: 10.1038/485314A |
0.504 |
|
| 2012 |
Zhu J, Choi WS, McCoy JG, Negri A, Zhu J, Naini S, Li J, Shen M, Huang W, Bougie D, Rasmussen M, Aster R, Thomas CJ, Filizola M, Springer TA, et al. Structure-guided design of a high-affinity platelet integrin αIIbβ3 receptor antagonist that disrupts Mg²⺠binding to the MIDAS. Science Translational Medicine. 4: 125ra32. PMID 22422993 DOI: 10.1126/Scitranslmed.3003576 |
0.403 |
|
| 2012 |
Choi W, Rice WJ, Negri A, Filizola M, Stokes DL, Coller BS. Three-Dimensional Reconstruction of Intact Human Integrin αIIbβ3 in a Phospholipid Bilayer Nanodisc Blood. 120: 92-92. DOI: 10.1182/Blood.V120.21.92.92 |
0.381 |
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| 2012 |
Mondal S, Khelashvili G, Khangulova (Johnston) J, Wang H, Provasi D, Andersen OS, Filizola M, Weinstein H. Interaction with the Membrane Uncovers Essential Differences Between Highly Homologous GPCRs Biophysical Journal. 102: 514a. DOI: 10.1016/J.Bpj.2011.11.2814 |
0.586 |
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| 2012 |
Wang H, Johnston JM, Provasi D, Filizola M. Investigating Structure and Sequence Dependence in the Dimerization of G Protein-Coupled Receptors Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.2813 |
0.559 |
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| 2012 |
Provasi D, Negri A, Coller B, Filizola M. Mechanistic Insights into αIIbβ3 Integrin Signaling from Long-Timescale Molecular Dynamics Simulations Biophysical Journal. 102: 398a-399a. DOI: 10.1016/J.Bpj.2011.11.2177 |
0.311 |
|
| 2011 |
Fribourg M, Moreno JL, Holloway T, Provasi D, Baki L, Mahajan R, Park G, Adney SK, Hatcher C, Eltit JM, Ruta JD, Albizu L, Li Z, Umali A, Shim J, ... ... Filizola M, et al. Decoding the signaling of a GPCR heteromeric complex reveals a unifying mechanism of action of antipsychotic drugs. Cell. 147: 1011-23. PMID 22118459 DOI: 10.1016/J.Cell.2011.09.055 |
0.417 |
|
| 2011 |
Provasi D, Artacho MC, Negri A, Mobarec JC, Filizola M. Ligand-induced modulation of the free-energy landscape of G protein-coupled receptors explored by adaptive biasing techniques. Plos Computational Biology. 7: e1002193. PMID 22022248 DOI: 10.1371/Journal.Pcbi.1002193 |
0.794 |
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| 2011 |
Johnston JM, Filizola M. Showcasing modern molecular dynamics simulations of membrane proteins through G protein-coupled receptors. Current Opinion in Structural Biology. 21: 552-8. PMID 21764295 DOI: 10.1016/J.Sbi.2011.06.008 |
0.457 |
|
| 2011 |
Wang H, Barreyro L, Provasi D, Djemil I, Torres-Arancivia C, Filizola M, Ubarretxena-Belandia I. Molecular determinants and thermodynamics of the amyloid precursor protein transmembrane domain implicated in Alzheimer's disease. Journal of Molecular Biology. 408: 879-95. PMID 21440556 DOI: 10.1016/J.Jmb.2011.03.028 |
0.331 |
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| 2011 |
Golebiewska U, Johnston JM, Devi L, Filizola M, Scarlata S. Differential response to morphine of the oligomeric state of μ-opioid in the presence of δ-opioid receptors. Biochemistry. 50: 2829-37. PMID 21361347 DOI: 10.1021/Bi101701X |
0.411 |
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| 2011 |
Johnston JM, Aburi M, Provasi D, Bortolato A, Urizar E, Lambert NA, Javitch JA, Filizola M. Making structural sense of dimerization interfaces of delta opioid receptor homodimers. Biochemistry. 50: 1682-90. PMID 21261298 DOI: 10.1021/Bi101474V |
0.509 |
|
| 2011 |
Zhu J, Choi W, McCoy JG, Negri A, Zhu J, Naini S, Li J, Shen M, Huang W, Thomas CJ, Filizola M, Springer T, Coller BS. Structure-Guided Design of A Novel High Affinity Integrin αIIbβ3 Receptor Antagonist (RUC-2) That Displaces Mg2+ From the β3 MIDAS, Blood. 118: 3255-3255. DOI: 10.1182/Blood.V118.21.3255.3255 |
0.397 |
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| 2011 |
Negri A, Naini S, Coller BS, Filizola M. Exploring New Druggable Binding Sites of Platelet Integrin αIIbβ3 Biophysical Journal. 100: 394a. DOI: 10.1016/J.Bpj.2010.12.2341 |
0.425 |
|
| 2011 |
Johnston JM, Provasi D, Filizola M. Investigating the Relative Stability of Opioid Receptor Homo- and Hetero-Dimers Using Biased Molecular Dynamics Methods Biophysical Journal. 100: 255a. DOI: 10.1016/J.Bpj.2010.12.1612 |
0.517 |
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| 2011 |
Provasi D, Li Z, Shim J, Fribourg M, Moreno JL, Logothetis DE, Gonzalez-Maeso J, MacKerell AD, Filizola M. Metadynamics-Based Mechanistic Interpretation of Functional Crosstalk Between Serotonin 2A and Metabotropic Glutamate 2 receptors Biophysical Journal. 100: 255a. DOI: 10.1016/J.Bpj.2010.12.1611 |
0.467 |
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| 2010 |
Zhu J, Zhu J, Negri A, Provasi D, Filizola M, Coller BS, Springer TA. Closed headpiece of integrin αIIbβ3 and its complex with an αIIbβ3-specific antagonist that does not induce opening. Blood. 116: 5050-9. PMID 20679525 DOI: 10.1182/Blood-2010-04-281154 |
0.463 |
|
| 2010 |
Provasi D, Johnston JM, Filizola M. Lessons from free energy simulations of delta-opioid receptor homodimers involving the fourth transmembrane helix. Biochemistry. 49: 6771-6. PMID 20617813 DOI: 10.1021/Bi100686T |
0.486 |
|
| 2010 |
Khelashvili G, Dorff K, Shan J, Camacho-Artacho M, Skrabanek L, Vroling B, Bouvier M, Devi LA, George SR, Javitch JA, Lohse MJ, Milligan G, Neubig RR, Palczewski K, Parmentier M, ... ... Filizola M, et al. GPCR-OKB: the G Protein Coupled Receptor Oligomer Knowledge Base. Bioinformatics (Oxford, England). 26: 1804-5. PMID 20501551 DOI: 10.1093/Bioinformatics/Btq264 |
0.483 |
|
| 2010 |
Provasi D, Filizola M. Putative active states of a prototypic g-protein-coupled receptor from biased molecular dynamics. Biophysical Journal. 98: 2347-55. PMID 20483344 DOI: 10.1016/J.Bpj.2010.01.047 |
0.524 |
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| 2010 |
Blue R, Li J, Steinberger J, Murcia M, Filizola M, Coller BS. Effects of limiting extension at the alphaIIb genu on ligand binding to integrin alphaIIbbeta3. The Journal of Biological Chemistry. 285: 17604-13. PMID 20363746 DOI: 10.1074/Jbc.M110.107763 |
0.39 |
|
| 2010 |
Filizola M. Increasingly accurate dynamic molecular models of G-protein coupled receptor oligomers: Panacea or Pandora's box for novel drug discovery? Life Sciences. 86: 590-7. PMID 19465029 DOI: 10.1016/J.Lfs.2009.05.004 |
0.526 |
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| 2010 |
Zhu J, Negri A, Provasi D, Filizola M, Coller BS, Springer TA. Closed headpiece of integrin {alpha}IIb{beta}3 and its complex with an {alpha}IIb{beta}3-specific antagonist that does not induce opening. Blood. 116: 5050-5059. DOI: 10.2210/Pdb3Nid/Pdb |
0.316 |
|
| 2010 |
Negri A, Provasi D, Zhu J, Zhu J, Coller BS, Springer TA, Filizola M. Computational Prediction and Experimental Validation of a Novel Binding Site for Platelet Integrin AlphaIIb-Beta3 Biophysical Journal. 98: 40a. DOI: 10.1016/J.Bpj.2009.12.229 |
0.389 |
|
| 2010 |
Provasi D, Mobarec JC, Artacho MC, Filizola M. Computational Insight into the Ligand-Induced Conformational Specificity of G-Protein Coupled Receptors Biophysical Journal. 98: 290a. DOI: 10.1016/J.Bpj.2009.12.1579 |
0.788 |
|
| 2010 |
Mobarec JC, Filizola M. Common Dynamic Behavior of Inactive G-Protein Coupled Receptor Structures for Diffusible Ligands Biophysical Journal. 98: 288a. DOI: 10.1016/J.Bpj.2009.12.1572 |
0.784 |
|
| 2009 |
Bortolato A, Mobarec JC, Provasi D, Filizola M. Progress in elucidating the structural and dynamic character of G Protein-Coupled Receptor oligomers for use in drug discovery. Current Pharmaceutical Design. 15: 4017-25. PMID 20028319 DOI: 10.2174/138161209789824768 |
0.785 |
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| 2009 |
Provasi D, Bortolato A, Filizola M. Exploring molecular mechanisms of ligand recognition by opioid receptors with metadynamics. Biochemistry. 48: 10020-9. PMID 19785461 DOI: 10.1021/Bi901494N |
0.567 |
|
| 2009 |
Mobarec JC, Sanchez R, Filizola M. Modern homology modeling of G-protein coupled receptors: which structural template to use? Journal of Medicinal Chemistry. 52: 5207-16. PMID 19627087 DOI: 10.1021/Jm9005252 |
0.761 |
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| 2009 |
Provasi D, Murcia M, Coller BS, Filizola M. Targeted molecular dynamics reveals overall common conformational changes upon hybrid domain swing-out in beta3 integrins. Proteins. 77: 477-89. PMID 19455709 DOI: 10.1002/Prot.22463 |
0.312 |
|
| 2009 |
Blue R, Kowalska MA, Hirsch J, Murcia M, Janczak CA, Harrington A, Jirouskova M, Li J, Fuentes R, Thornton MA, Filizola M, Poncz M, Coller BS. Structural and therapeutic insights from the species specificity and in vivo antithrombotic activity of a novel alphaIIb-specific alphaIIbbeta3 antagonist. Blood. 114: 195-201. PMID 19414864 DOI: 10.1182/Blood-2008-08-169243 |
0.403 |
|
| 2009 |
Zhu J, Zhu J, Negri A, Provasi D, Filizola M, Coller BS, Springer TA. Structural, Functional, and Dynamic Characterization of the Binding Site of RUC-1, a Novel αIIb-Specific Inhibitor of Integrin αIIbβ3. Blood. 114: 151-151. DOI: 10.1182/Blood.V114.22.151.151 |
0.448 |
|
| 2009 |
Provasi D, Palczewski K, Filizola M. Exploring the Thermodynamics of Activation Pathways of Bovine Rhodopsin with Fast Molecular Dynamics Simulations Biophysical Journal. 96: 679a. DOI: 10.1016/J.Bpj.2008.12.3586 |
0.496 |
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| 2009 |
Bortolato A, Aburi M, Urizar E, Javitch JA, Filizola M. Modern Molecular Models and Simulations of Opioid Receptor Dimers Biophysical Journal. 96: 677a. DOI: 10.1016/J.Bpj.2008.12.3578 |
0.549 |
|
| 2009 |
Mobarec JC, Sanchez R, Filizola M. On Template Selection for Homology Modeling of G-Protein Coupled Receptors Biophysical Journal. 96: 653a. DOI: 10.1016/J.Bpj.2008.12.3447 |
0.774 |
|
| 2009 |
Chavez JL, Djemil I, Provasi D, Torres CM, Filizola M, Ubarretxena I. Substrate Specificity And Peptide Bond Selectivity In Rhomboid Intramembrane Proteases Biophysical Journal. 96. DOI: 10.1016/J.Bpj.2008.12.1642 |
0.322 |
|
| 2009 |
Provasi D, Djemil I, Barreyro L, Ubarretxena-Belandia I, Filizola M. Assessment of the Molecular Determinants Required for Dimerization of the Amyloid Precursor Protein Transmembrane Domain by a Combined Experimental and Computational Approach Biophysical Journal. 96. DOI: 10.1016/J.Bpj.2008.12.1496 |
0.337 |
|
| 2008 |
Mobarec JC, Filizola M. Advances in the Development and Application of Computational Methodologies for Structural Modeling of G-Protein Coupled Receptors. Expert Opinion On Drug Discovery. 3: 343-355. PMID 19672320 DOI: 10.1517/17460441.3.3.343 |
0.768 |
|
| 2008 |
Guo W, Urizar E, Kralikova M, Mobarec JC, Shi L, Filizola M, Javitch JA. Dopamine D2 receptors form higher order oligomers at physiological expression levels. The Embo Journal. 27: 2293-304. PMID 18668123 DOI: 10.1038/Emboj.2008.153 |
0.754 |
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| 2008 |
González-Maeso J, Ang RL, Yuen T, Chan P, Weisstaub NV, López-Giménez JF, Zhou M, Okawa Y, Callado LF, Milligan G, Gingrich JA, Filizola M, Meana JJ, Sealfon SC. Identification of a serotonin/glutamate receptor complex implicated in psychosis. Nature. 452: 93-7. PMID 18297054 DOI: 10.1038/Nature06612 |
0.376 |
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| 2008 |
Taylor MS, Fung HK, Rajgaria R, Filizola M, Weinstein H, Floudas CA. Mutations affecting the oligomerization interface of G-protein-coupled receptors revealed by a novel de novo protein design framework. Biophysical Journal. 94: 2470-81. PMID 18178645 DOI: 10.1529/Biophysj.107.117622 |
0.585 |
|
| 2008 |
Murcia M, Jirouskova M, Li J, Coller BS, Filizola M. Functional and computational studies of the ligand-associated metal binding site of beta3 integrins. Proteins. 71: 1779-91. PMID 18175315 DOI: 10.1002/Prot.21859 |
0.336 |
|
| 2008 |
Niv MY, Filizola M. Influence of oligomerization on the dynamics of G-protein coupled receptors as assessed by normal mode analysis. Proteins. 71: 575-86. PMID 17963239 DOI: 10.1002/Prot.21787 |
0.481 |
|
| 2008 |
Blue R, Steinberger J, Li J, Murcia M, Filizola M, Coller BS. Limiting αIIb Extension at the Genu Differentially Affects Binding of Small and Large Ligands to αIIbβ3 Blood. 112: 255-255. DOI: 10.1182/Blood.V112.11.255.255 |
0.388 |
|
| 2007 |
Skrabanek L, Murcia M, Bouvier M, Devi L, George SR, Lohse MJ, Milligan G, Neubig R, Palczewski K, Parmentier M, Pin JP, Vriend G, Javitch JA, Campagne F, Filizola M. Requirements and ontology for a G protein-coupled receptor oligomerization knowledge base. Bmc Bioinformatics. 8: 177. PMID 17537266 DOI: 10.1186/1471-2105-8-177 |
0.441 |
|
| 2007 |
Pin JP, Neubig R, Bouvier M, Devi L, Filizola M, Javitch JA, Lohse MJ, Milligan G, Palczewski K, Parmentier M, Spedding M. International Union of Basic and Clinical Pharmacology. LXVII. Recommendations for the recognition and nomenclature of G protein-coupled receptor heteromultimers. Pharmacological Reviews. 59: 5-13. PMID 17329545 DOI: 10.1124/Pr.59.1.5 |
0.498 |
|
| 2006 |
Niv MY, Skrabanek L, Filizola M, Weinstein H. Modeling activated states of GPCRs: the rhodopsin template. Journal of Computer-Aided Molecular Design. 20: 437-48. PMID 17103019 DOI: 10.1007/S10822-006-9061-3 |
0.637 |
|
| 2006 |
Filizola M, Wang SX, Weinstein H. Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer. Journal of Computer-Aided Molecular Design. 20: 405-16. PMID 17089205 DOI: 10.1007/S10822-006-9053-3 |
0.638 |
|
| 2006 |
Mezei M, Filizola M. TRAJELIX: a computational tool for the geometric characterization of protein helices during molecular dynamics simulations. Journal of Computer-Aided Molecular Design. 20: 97-107. PMID 16783601 DOI: 10.1007/S10822-006-9039-1 |
0.387 |
|
| 2006 |
Jirouskova M, Murcia M, Li J, Filizola M, Coller BS. Functional and Computational Analysis of the Role of the Adjacent to Metal Ion-Dependent Adhesion Site (ADMIDAS) of Integrin αIIbβ3. Blood. 108: 143-143. DOI: 10.1182/Blood.V108.11.143.143 |
0.309 |
|
| 2005 |
Guo W, Shi L, Filizola M, Weinstein H, Javitch JA. Crosstalk in G protein-coupled receptors: changes at the transmembrane homodimer interface determine activation. Proceedings of the National Academy of Sciences of the United States of America. 102: 17495-500. PMID 16301531 DOI: 10.1073/Pnas.0508950102 |
0.647 |
|
| 2005 |
Filizola M, Weinstein H. The structure and dynamics of GPCR oligomers: a new focus in models of cell-signaling mechanisms and drug design. Current Opinion in Drug Discovery & Development. 8: 577-84. PMID 16159019 |
0.586 |
|
| 2005 |
Filizola M, Weinstein H. The study of G-protein coupled receptor oligomerization with computational modeling and bioinformatics. The Febs Journal. 272: 2926-38. PMID 15955053 DOI: 10.1111/J.1742-4658.2005.04730.X |
0.623 |
|
| 2004 |
Filizola M, Hassan SA, Artoni A, Coller BS, Weinstein H. Mechanistic insights from a refined three-dimensional model of integrin alphaIIbbeta3. The Journal of Biological Chemistry. 279: 24624-30. PMID 15056669 DOI: 10.1074/Jbc.M400243200 |
0.463 |
|
| 2002 |
Filizola M, Weinstein H. Structural models for dimerization of G-protein coupled receptors: the opioid receptor homodimers. Biopolymers. 66: 317-25. PMID 12539260 DOI: 10.1002/Bip.10311 |
0.681 |
|
| 2002 |
Filizola M, Olmea O, Weinstein H. Prediction of heterodimerization interfaces of G-protein coupled receptors with a new subtractive correlated mutation method. Protein Engineering. 15: 881-5. PMID 12538907 DOI: 10.1093/Protein/15.11.881 |
0.67 |
|
| 2002 |
Filizola M, Perez JJ. Assessment of the bioactive conformation of the vasoactive intestinal peptide by computational methods International Journal of Quantum Chemistry. 88: 201-210. DOI: 10.1002/Qua.10112 |
0.356 |
|
| 2002 |
Filizola M, Harris DL. Molecular determinants of recognition and activation at GABAA/benzodiazepine receptors International Journal of Quantum Chemistry. 88: 56-64. DOI: 10.1002/Qua.10110 |
0.513 |
|
| 2001 |
Filizola M, Villar HO, Loew GH. Differentiation of delta, mu, and kappa opioid receptor agonists based on pharmacophore development and computed physicochemical properties. Journal of Computer-Aided Molecular Design. 15: 297-307. PMID 11349813 DOI: 10.1023/A:1011187320095 |
0.445 |
|
| 2001 |
Filizola M, Villar HO, Loew GH. Molecular determinants of non-specific recognition of δ, μ, and κ opioid receptors Bioorganic & Medicinal Chemistry. 9: 69-76. PMID 11197347 DOI: 10.1016/S0968-0896(00)00223-6 |
0.496 |
|
| 2001 |
Filizola M, Tasso SM, Loew GH, Villar HO. Global physicochemical properties as activity discriminants for the mGluR1 subtype of metabotropic glutamate receptors Journal of Computational Chemistry. 22: 2018-2027. DOI: 10.1002/Jcc.1150 |
0.462 |
|
| 2000 |
Filizola M, Harris DL, Loew GH. Development of a 3D pharmacophore for nonspecific ligand recognition of α1, α2, α3, α5, and α6 containing gabaA/benzodiazepine receptors Bioorganic & Medicinal Chemistry. 8: 1799-1807. PMID 10976528 DOI: 10.1016/S0968-0896(00)00112-7 |
0.368 |
|
| 2000 |
Filizola M, Harris DL, Loew GH. Benzodiazepine-induced hyperphagia: development and assessment of a 3D pharmacophore by computational methods. Journal of Biomolecular Structure & Dynamics. 17: 769-78. PMID 10798522 DOI: 10.1080/07391102.2000.10506566 |
0.415 |
|
| 2000 |
Perez JJ, Filizola M, Corcho F. Docking of peptide-T onto the D1 domain of the CD4 receptor Journal of Biomolecular Structure and Dynamics. 17: 725-733. PMID 10698109 DOI: 10.1080/07391102.2000.10506562 |
0.392 |
|
| 2000 |
Filizola M, Loew GH. Role of Protein Environment in Horseradish Peroxidase Compound I Formation: Molecular Dynamics Simulations of Horseradish Peroxidase−HOOH Complex Journal of the American Chemical Society. 122: 18-25. DOI: 10.1021/Ja992793Z |
0.339 |
|
| 2000 |
Corcho FJ, Filizola M, Pérez JJ. Evaluation of the iterative simulated annealing technique in conformational search of peptides Chemical Physics Letters. 319: 65-70. DOI: 10.1016/S0009-2614(00)00081-6 |
0.306 |
|
| 1999 |
Filizola M, Laakkonen L, loew GH. 3D modeling, ligand binding and activation studies of the cloned mouse δ, μ and κ opioid receptors Protein Engineering. 12: 927-942. PMID 10585498 DOI: 10.1093/Protein/12.11.927 |
0.559 |
|
| 1999 |
Filizola M, Carteni-Farina M, Perez JJ. Molecular modeling study of the differential ligand-receptor interaction at the μ, δ and κ opioid receptors Journal of Computer-Aided Molecular Design. 13: 397-407. PMID 10425604 DOI: 10.1023/A:1008079823736 |
0.546 |
|
| 1999 |
Corcho FJ, Filizola M, Perez JJ. Assessment of the bioactive conformation of the farnesyltransferase protein binding recognition motif by computational methods Journal of Biomolecular Structure and Dynamics. 16: 1043-1052. PMID 10333174 DOI: 10.1080/07391102.1999.10508313 |
0.365 |
|
| 1999 |
Llorens O, Filizola M, Spisani S, Marastoni M, Herranz C, Perez JJ. Amygdalin binds to the CD4 receptor as suggested from molecular modeling studies. Bioorganic & Medicinal Chemistry Letters. 8: 781-6. PMID 9871541 DOI: 10.1016/S0960-894X(98)00120-6 |
0.304 |
|
| 1999 |
Filizola M, Llorens O, Cartení-Farina M, Perez JJ. New insights into the conformational requirements of B2 bradykinin antagonism. Bioorganic & Medicinal Chemistry. 6: 1491-500. PMID 9801820 DOI: 10.1016/S0968-0896(98)00084-4 |
0.366 |
|
| 1999 |
Filizola M, Cartenì-Farina M, Perez JJ. Modeling the 3D Structure of Rhodopsin Using a De Novo Approach to Build G-protein−Coupled Receptors The Journal of Physical Chemistry B. 103: 2520-2527. DOI: 10.1021/Jp9820471 |
0.433 |
|
| 1998 |
Filizola M, Perez JJ, Cartenì-Farina M. BUNDLE: a program for building the transmembrane domains of G-protein-coupled receptors. Journal of Computer-Aided Molecular Design. 12: 111-8. PMID 9690171 DOI: 10.1023/A:1007969112988 |
0.42 |
|
| 1998 |
Filizola M, Centeno NB, Cartení-Farina M, Perez JJ. Conformational analysis of the highly potent bradykinin antagonist Hoe-140 by means of two different computational methods. Journal of Biomolecular Structure & Dynamics. 15: 639-52. PMID 9514242 DOI: 10.1080/07391102.1998.10508981 |
0.399 |
|
| 1998 |
Perez JJ, Filizola M, Caritenì‐Farina M. A General Procedure For Building The Transmembrane Domains Of G-Protein Coupled Receptors Journal of Mathematical Chemistry. 23: 229-238. DOI: 10.1023/A:1019169124352 |
0.426 |
|
| 1998 |
Llorens O, Centeno NB, Filizola M, Spisani S, Marastoni M, Calafell M, Herranz C, Perez JJ. A proposed bioactive form of peptide T and the design of peptidomimetics Letters in Peptide Science. 5: 179-182. DOI: 10.1007/Bf02443465 |
0.334 |
|
| 1998 |
Filizola M, Rosell G, Guerrero A, Pérez JJ. Conformational requirements for inhibition of the pheromone catabolism in Spodoptera littoralis Quantitative Structure-Activity Relationships. 17: 205-210. DOI: 10.1002/(Sici)1521-3838(199806)17:03<205::Aid-Qsar205>3.3.Co;2-1 |
0.333 |
|
| 1998 |
Filizola M, Rosell G, Guerrero A, Pérez JJ. Conformational requirements for inhibition of the pheromone catabolism in Spodoptera littoralis: 3D determinants for antennal esteare binding Quantitative Structure-Activity Relationships. 17: 205-210. DOI: 10.1002/(Sici)1521-3838(199806)17:03<205::Aid-Qsar205>3.0.Co;2-A |
0.315 |
|
| 1997 |
Filizola M, Perez JJ, Palomer A, Mauleón D. Comparative molecular modeling study of the three-dimensional structures of prostaglandin endoperoxide H2 synthase 1 and 2 (COX-1 and COX-2). Journal of Molecular Graphics & Modelling. 15: 290-300. PMID 9640560 DOI: 10.1016/S1093-3263(97)00107-1 |
0.413 |
|
| 1997 |
Filizola M, Cartenì-Farina M, Perez JJ. Conformational study of vasoactive intestinal peptide by computational methods Journal of Peptide Research. 50: 55-64. PMID 9273888 DOI: 10.1111/J.1399-3011.1997.Tb00620.X |
0.405 |
|
| 1997 |
Filizola M, Centeno NB, Perez JJ. Computational Study of the Conformational Domains of Peptide T Journal of Peptide Science. 3: 85-92. DOI: 10.1002/(Sici)1099-1387(199703)3:2<85::Aid-Psc84>3.0.Co;2-0 |
0.338 |
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