المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

المصدر: PLoS ONE, Vol 19, Iss 3 (2024)

مصطلحات موضوعية: Medicine, Science

وصف الملف: electronic resource

Relation: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10947690/?tool=EBI; https://doaj.org/toc/1932-6203

URL الوصول: https://doaj.org/article/cd322d63f3ad448ca81be682c90732b2

المؤلفون: Olivia Slater, Maria Kontoyianni

المصدر: SN Applied Sciences, Vol 4, Iss 5, Pp 1-19 (2022)

مصطلحات موضوعية: Docking, Somatostatin receptors, Somatostatin Receptor Subtype 4, QSAR, G-protein coupled receptors, Science, Technology

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2523-3963; https://doaj.org/toc/2523-3971

URL الوصول: https://doaj.org/article/509926581c3c41a6aa396ad66f237ed7

المؤلفون: Alejandro M. S. Mayer, Mary L. Hall, Joseph Lach, Jonathan Clifford, Kevin Chandrasena, Caitlin Canton, Maria Kontoyianni, Yeun-Mun Choo, Dev Karan, Mark T. Hamann

المصدر: Marine Drugs, Vol 19, Iss 9, p 506 (2021)

مصطلحات موضوعية: MZA, Manzamine A, CTKD, C-terminal kinase domain, ras-ERK1/2 (extracellular-signal-regulated kinase 1/2) pathway, RSK1, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1660-3397/19/9/506; https://doaj.org/toc/1660-3397

URL الوصول: https://doaj.org/article/b3bab1dd54084d17be970cacbdcf5f09

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/journal_contribution/S1_File_-/25430932

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.s001

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/figure/Heatmaps_of_the_most_frequent_residue_trios_bottleneck_radius_distribution_for_each_channel_/25430941

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.g003

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/figure/Fig_1_-/25430935

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.g001

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/figure/Fig_5_-/25430947

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.g005

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/dataset/Exit_channels_in_CYP3A4_and_respective_gating_residues_50_/25430968

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.t002

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/dataset/Parameters_for_identified_channels_using_CAVER_/25430971

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.t003

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/figure/Transition_probabilities_for_each_gateway_residue_pair_as_a_function_of_the_distance_chosen_to_differentiate_openness_from_closedness_/25430959

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.g009

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/figure/Fig_4_-/25430944

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.g004

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/figure/Fig_6_-/25430950

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.g006

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/figure/Distance_distributions_of_each_channel_s_gating_residues_from_all_simulations_for_the_membrane-embedded_CYP_3A4_/25430953

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.g007

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/dataset/Exit_residues_used_to_calculate_the_location_of_the_channels_exits_with_respect_to_the_membrane_/25430965

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.t001

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/figure/Dual_distance_distributions_for_each_gating_residue_pair_are_plotted_against_each_other_gating_residue_pair_/25430956

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.g008

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/figure/Ten-state_Hidden_Markov_Model_HMM_of_the_apo_CYP_3A4_with_circles_representing_the_state_equilibrium_population_/25430962

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.g010

المؤلفون: Edward Michael Ackad, Laurence Biggers, Mary Meister, Maria Kontoyianni

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, may potentially lead, hidden markov models, findings shed light, display coordinated motion, discuss channel properties, channel location relative, respective channel ingress, gating residues regarding, gating residues, bottleneck residues, %22">xlink ">, reduced efficacy, randomly transition, random fashion, often manifested, equilibrium landscape, enzymes metabolize, different conformations, cytochrome p450, closed states

Relation: https://figshare.com/articles/dataset/Equilibrium_populations_of_each_state_as_a_function_of_boundary_distance_/25430974

الاتاحة: https://doi.org/10.1371/journal.pone.0298424.t004

المؤلفون: Maria, Kontoyianni

المصدر: Expert Opinion on Drug Discovery. 17:1177-1179

مصطلحات موضوعية: Models, Molecular, Molecular Docking Simulation, Molecular Structure, Drug Discovery, Humans

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83af5b0e7105e7fb5370a58963ec7858
https://doi.org/10.1080/17460441.2022.2130244

المؤلفون: William L. Neumann, Karin E. Sandoval, Shirin Mobayen, Mahsa Minaeian, Stephen G. Kukielski, Khush N. Srabony, Rafael Frare, Olivia Slater, Susan A. Farr, Michael L. Niehoff, Audrey Hospital, Maria Kontoyianni, A. Michael Crider, Ken A. Witt

المصدر: RSC Med Chem

مصطلحات موضوعية: 0301 basic medicine, Agonist, Senescence, endocrine system, medicine.drug_class, Pharmaceutical Science, Pharmacology, Biochemistry, 03 medical and health sciences, 0302 clinical medicine, Drug Discovery, medicine, Cognitive decline, EC50, Chemistry, Somatostatin receptor, Organic Chemistry, Biological activity, 030104 developmental biology, Somatostatin, Molecular Medicine, Selectivity, hormones, hormone substitutes, and hormone antagonists, 030217 neurology & neurosurgery

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6112011b4b60fd7fb1420b889e01c530
https://doi.org/10.1039/d1md00044f

المؤلفون: Maria Kontoyianni, Bethany Miller, Olivia Slater

المصدر: Microsoft Academic Graph

مصطلحات موضوعية: Computer science, Protein Conformation, Focus area, Computational biology, Biochemistry, Protein–protein interaction, Machine Learning, 03 medical and health sciences, Structure-Activity Relationship, 0302 clinical medicine, Molecular recognition, Protein Interaction Mapping, Drug Discovery, Humans, Amino Acid Sequence, Databases, Protein, Biology, 030304 developmental biology, 0303 health sciences, Binding Sites, Drug discovery, Proteins, Hydrogen Bonding, General Medicine, Small molecule, 3. Good health, Molecular Docking Simulation, Drug repositioning, Docking (molecular), Drug Design, Computer-Aided Design, Decoding methods, Hydrophobic and Hydrophilic Interactions, 030217 neurology & neurosurgery, Protein Binding

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::adbf7d469085c37a60972cfc3d4fe122
http://eurekaselect.com/article/download/179762