| scholarly article | Q13442814 |
| review article | Q7318358 |
| P2093 | author name string | M. Rashid | |
| Serdar Kuyucak | |||
| Somayeh Mahdavi | |||
| P2860 | cites work | Nonequilibrium Equality for Free Energy Differences | Q21698763 |
| The Structure of the Potassium Channel: Molecular Basis of K+ Conduction and Selectivity | Q22337058 | ||
| A C-terminally amidated analogue of ShK is a potent and selective blocker of the voltage-gated potassium channel Kv1.3 | Q24614314 | ||
| Engineering a stable and selective peptide blocker of the Kv1.3 channel in T lymphocytes | Q24657847 | ||
| The voltage-gated Kv1.3 K(+) channel in effector memory T cells as new target for MS | Q24675746 | ||
| Kv1.3 channels are a therapeutic target for T cell-mediated autoimmune diseases | Q24676659 | ||
| Structure-activity relationships of mu-conotoxin GIIIA: structure determination of active and inactive sodium channel blocker peptides by NMR and simulated annealing calculations | Q27642094 | ||
| Atomic structure of a voltage-dependent K+ channel in a lipid membrane-like environment | Q27649044 | ||
| The crystal structure of a voltage-gated sodium channel | Q27670752 | ||
| Crystal structure of an orthologue of the NaChBac voltage-gated sodium channel | Q27679539 | ||
| Crystal structure of a voltage-gated sodium channel in two potentially inactivated states | Q27679542 | ||
| Solution structure of ShK toxin, a novel potassium channel inhibitor from a sea anemone | Q27732602 | ||
| Solution structure and proposed binding mechanism of a novel potassium channel toxin kappa-conotoxin PVIIA | Q27748801 | ||
| ShK-Dap22, a potent Kv1.3-specific immunosuppressive polypeptide | Q27766081 | ||
| All-atom empirical potential for molecular modeling and dynamics studies of proteins | Q27860468 | ||
| VMD: visual molecular dynamics | Q27860554 | ||
| Molecular basis of inhibitory peptide maurotoxin recognizing Kv1.2 channel explored by ZDOCK and molecular dynamic simulations. | Q51625612 | ||
| Integrating statistical pair potentials into protein complex prediction. | Q51626110 | ||
| Electrostatic recognition and induced fit in the kappa-PVIIA toxin binding to Shaker potassium channel. | Q52657163 | ||
| Why the Drosophila Shaker K+ channel is not a good model for ligand binding to voltage-gated Kv1 channels. | Q52750956 | ||
| THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method | Q56157177 | ||
| Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function | Q56885198 | ||
| GROMACS 3.0: a package for molecular simulation and trajectory analysis | Q57082068 | ||
| Principles of docking: An overview of search algorithms and a guide to scoring functions | Q57808017 | ||
| Strategy for rapid immobilization of prey by a fish-hunting marine snail | Q59093749 | ||
| Active site of mu-conotoxin GIIIA, a peptide blocker of muscle sodium channels | Q68254350 | ||
| Single amino acid substitutions in kappa-conotoxin PVIIA disrupt interaction with the shaker K+ channel | Q73807656 | ||
| Binding of organic cations to gramicidin A channel studied with AutoDock and molecular dynamics simulations | Q81037044 | ||
| Potential of mean force calculations of ligand binding to ion channels from Jarzynski's equality and umbrella sampling | Q81143204 | ||
| Charybdotoxin unbinding from the mKv1.3 potassium channel: a combined computational and experimental study | Q84856824 | ||
| Analogs of the sea anemone potassium channel blocker ShK for the treatment of autoimmune diseases | Q36099602 | ||
| mu-conotoxin GIIIA interactions with the voltage-gated Na(+) channel predict a clockwise arrangement of the domains | Q36436314 | ||
| A marine snail neurotoxin shares with scorpion toxins a convergent mechanism of blockade on the pore of voltage-gated K channels | Q36436819 | ||
| The block of Shaker K+ channels by kappa-conotoxin PVIIA is state dependent | Q36436823 | ||
| Electrostatic and steric contributions to block of the skeletal muscle sodium channel by mu-conotoxin | Q36445262 | ||
| Calculation of protein-ligand binding affinities. | Q36698596 | ||
| Computations of standard binding free energies with molecular dynamics simulations | Q37335295 | ||
| Voltage-gated potassium channels as therapeutic targets | Q37464784 | ||
| Basic ingredients of free energy calculations: a review | Q37662435 | ||
| Towards accurate free energy calculations in ligand protein-binding studies | Q37678441 | ||
| The tetrodotoxin binding site is within the outer vestibule of the sodium channel | Q37730498 | ||
| Mu-conotoxins as leads in the development of new analgesics | Q37739202 | ||
| Free energy via molecular simulation: applications to chemical and biomolecular systems | Q38648060 | ||
| Modeling P-loops domain of sodium channel: homology with potassium channels and interaction with ligands | Q40311449 | ||
| Clockwise domain arrangement of the sodium channel revealed by (mu)-conotoxin (GIIIA) docking orientation. | Q40832282 | ||
| Binding of kappa-conotoxin PVIIA to Shaker K+ channels reveals different K+ and Rb+ occupancies within the ion channel pore | Q41939261 | ||
| Action of derivatives of mu-conotoxin GIIIA on sodium channels. Single amino acid substitutions in the toxin separately affect association and dissociation rates | Q42027458 | ||
| Energetics of ion permeation, rejection, binding, and block in gramicidin A from free energy simulations | Q42269231 | ||
| Ligand binding to the voltage-gated Kv1.5 potassium channel in the open state--docking and computer simulations of a homology model | Q42633034 | ||
| Affinity and selectivity of ShK toxin for the Kv1 potassium channels from free energy simulations | Q43414776 | ||
| Conserved functional surface of antimammalian scorpion β-toxins | Q44096067 | ||
| Architecture and pore block of eukaryotic voltage-gated sodium channels in view of NavAb bacterial sodium channel structure | Q47902934 | ||
| Potassium channels and the atomic basis of selective ion conduction (Nobel Lecture). | Q48566080 | ||
| Predominant interactions between mu-conotoxin Arg-13 and the skeletal muscle Na+ channel localized by mutant cycle analysis | Q48942641 | ||
| Scalable molecular dynamics with NAMD | Q27860718 | ||
| HADDOCK: a protein-protein docking approach based on biochemical or biophysical information | Q27860814 | ||
| Structural conservation of the pores of calcium-activated and voltage-gated potassium channels determined by a sea anemone toxin | Q28140470 | ||
| Therapeutic potential of venom peptides | Q28207222 | ||
| Principles of docking: An overview of search algorithms and a guide to scoring functions | Q28217048 | ||
| Targeting effector memory T cells with a selective peptide inhibitor of Kv1.3 channels for therapy of autoimmune diseases | Q28303760 | ||
| Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations | Q29547631 | ||
| HADDOCK versus HADDOCK: new features and performance of HADDOCK2.0 on the CAPRI targets | Q29615981 | ||
| A critical assessment of docking programs and scoring functions | Q29616761 | ||
| Nuclear magnetic resonance structural studies of a potassium channel-charybdotoxin complex. | Q30351969 | ||
| Molecular recognition and docking algorithms | Q31130825 | ||
| Combining docking and molecular dynamic simulations in drug design | Q33245994 | ||
| Mechanism and energetics of charybdotoxin unbinding from a potassium channel from molecular dynamics simulations | Q33427227 | ||
| Molecular dynamics simulations of membrane proteins | Q33639627 | ||
| Calculation of absolute protein-ligand binding free energy from computer simulations | Q33784404 | ||
| Conus venoms: a rich source of novel ion channel-targeted peptides | Q33975042 | ||
| Novel Interactions Identified between μ-Conotoxin and the Na+ Channel Domain I P-loop: Implications for Toxin-Pore Binding Geometry | Q34183084 | ||
| Characterization of a potassium channel toxin from the Caribbean sea anemone Stichodactyla helianthus | Q34303998 | ||
| Current views on scorpion toxins specific for K+-channels | Q34328007 | ||
| Slow inactivation in voltage gated potassium channels is insensitive to the binding of pore occluding peptide toxins. | Q34350663 | ||
| Conus geographus toxins that discriminate between neuronal and muscle sodium channels. | Q34376153 | ||
| Importance of the peptide backbone description in modeling the selectivity filter in potassium channels. | Q34376602 | ||
| Structural basis of the selective block of Kv1.2 by maurotoxin from computer simulations | Q34448127 | ||
| kappa-Conotoxin PVIIA is a peptide inhibiting the shaker K+ channel | Q34450995 | ||
| Comparative study of the energetics of ion permeation in Kv1.2 and KcsA potassium channels | Q34536403 | ||
| Accurate determination of the binding free energy for KcsA-charybdotoxin complex from the potential of mean force calculations with restraints | Q34978169 | ||
| Docking of mu-conotoxin GIIIA in the sodium channel outer vestibule | Q35540469 | ||
| Free energy simulations of ligand binding to the aspartate transporter Glt(Ph). | Q35556342 | ||
| Binding modes of μ-conotoxin to the bacterial sodium channel (NaVAb) | Q35743263 | ||
| Toxin determinants required for interaction with voltage-gated K+ channels | Q35811377 | ||
| Modeling the binding of three toxins to the voltage-gated potassium channel (Kv1.3) | Q35815876 | ||
| Calculating potentials of mean force from steered molecular dynamics simulations | Q35842453 | ||
| Developing a comparative docking protocol for the prediction of peptide selectivity profiles: investigation of potassium channel toxins | Q35864568 | ||
| Sodium channel toxins--receptor targeting and therapeutic potential | Q35972174 | ||
| Development of a sea anemone toxin as an immunomodulator for therapy of autoimmune diseases | Q36097325 | ||
| P275 | copyright license | Creative Commons Attribution 3.0 Unported | Q14947546 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P433 | issue | 3 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | biomedical investigative technique | Q66648976 |
| marine toxins | Q75034475 | ||
| P304 | page(s) | 848-69 | |
| P577 | publication date | 2013-03-13 | |
| P1433 | published in | Marine Drugs | Q2122804 |
| P1476 | title | Computational studies of marine toxins targeting ion channels | |
| P478 | volume | 11 |
| Q33963182 | Binding modes of two scorpion toxins to the voltage-gated potassium channel kv1.3 revealed from molecular dynamics |
| Q39127424 | Biobetters From an Integrated Computational/Experimental Approach. |
| Q35808594 | Bioinformatics-Aided Venomics |
| Q38968358 | Computational Insights of the Interaction among Sea Anemones Neurotoxins and Kv1.3 Channel |
| Q26775013 | Computational Studies of Venom Peptides Targeting Potassium Channels |
| Q34973773 | Computational approaches for designing potent and selective analogs of peptide toxins as novel therapeutics |
| Q55010535 | Determination of the μ-Conotoxin PIIIA Specificity Against Voltage-Gated Sodium Channels from Binding Energy Calculations. |
| Q43249870 | Guanidinium Toxins and Their Interactions with Voltage-Gated Sodium Ion Channels |
| Q41661968 | Marine Pharmacology in 2012-2013: Marine Compounds with Antibacterial, Antidiabetic, Antifungal, Anti-Inflammatory, Antiprotozoal, Antituberculosis, and Antiviral Activities; Affecting the Immune and Nervous Systems, and Other Miscellaneous Mechanis |
| Q35133771 | Mechanism of μ-conotoxin PIIIA binding to the voltage-gated Na+ channel NaV1.4. |
| Q39164064 | Molecular Simulations of Disulfide-Rich Venom Peptides with Ion Channels and Membranes |
| Q37232012 | Molecular dynamics simulations of scorpion toxin recognition by the Ca(2+)-activated potassium channel KCa3.1. |
| Q92989648 | Structural and Functional Analyses of Cone Snail Toxins |
| Q27021886 | Structure and function of μ-conotoxins, peptide-based sodium channel blockers with analgesic activity |
| Q50086110 | Toxins That Affect Voltage-Gated Sodium Channels |
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