| review article | Q7318358 |
| scholarly article | Q13442814 |
| P50 | author | Klaus Schulten | Q19665429 |
| Emad Tajkhorshid | Q28052921 | ||
| Marcos Sotomayor | Q55294102 | ||
| Po-Chao Wen | Q58140638 | ||
| James C Gumbart | Q87700377 | ||
| Fatemeh Khalili-Araghi | Q125302365 | ||
| P2860 | cites work | Importance of hydration and dynamics on the selectivity of the KcsA and NaK channels | Q24683902 |
| The Crystal Structure of a Sodium Galactose Transporter Reveals Mechanistic Insights into Na+/Sugar Symport | Q27651031 | ||
| The Structure of an Open Form of an E. coli Mechanosensitive Channel at 3.45 A Resolution | Q27651851 | ||
| Mechanism of selectivity in aquaporins and aquaglyceroporins. | Q27919717 | ||
| Molecular dynamics simulations and membrane protein structure quality. | Q30365399 | ||
| Embedded cholesterol in the nicotinic acetylcholine receptor | Q30371845 | ||
| A structural mechanism for MscS gating in lipid bilayers | Q30435591 | ||
| Three-dimensional architecture of membrane-embedded MscS in the closed conformation | Q30439355 | ||
| Mechanics of force propagation in TonB-dependent outer membrane transport | Q30441392 | ||
| Ion conduction through MscS as determined by electrophysiology and simulation | Q30443788 | ||
| Molecular driving forces determining potassium channel slow inactivation | Q30444688 | ||
| Sugar transport across lactose permease probed by steered molecular dynamics | Q30479746 | ||
| Barriers to ion translocation in cationic and anionic receptors from the Cys-loop family | Q44133151 | ||
| Conformational dynamics of the mitochondrial ADP/ATP carrier: a simulation study. | Q46261473 | ||
| Opening of the ADP-bound active site in the ABC transporter ATPase dimer: evidence for a constant contact, alternating sites model for the catalytic cycle. | Q46335123 | ||
| Binding of ADP in the mitochondrial ADP/ATP carrier is driven by an electrostatic funnel | Q46409451 | ||
| Conformational changes and gating at the selectivity filter of potassium channels. | Q46512362 | ||
| The dynamics of the MgATP-driven closure of MalK, the energy-transducing subunit of the maltose ABC transporter. | Q54458742 | ||
| Structural determinants of lateral gate opening in the protein translocon | Q57117535 | ||
| Exploring gas permeability of cellular membranes and membrane channels with molecular dynamics | Q57233405 | ||
| Collective Diffusion Model for Water Permeation through Microscopic Channels | Q57233428 | ||
| Dynamics and function in a bacterial ABC transporter: simulation studies of the BtuCDF system and its components | Q79779297 | ||
| Nucleotide-dependent allostery within the ABC transporter ATP-binding cassette: a computational study of the MJ0796 dimer | Q80280502 | ||
| DeltaF508 mutation increases conformational flexibility of CFTR protein | Q80594259 | ||
| Conformational change in an MFS protein: MD simulations of LacY | Q80631493 | ||
| Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF. | Q30481030 | ||
| Substrate binding and formation of an occluded state in the leucine transporter | Q30481294 | ||
| Electrostatic funneling of substrate in mitochondrial inner membrane carriers | Q30482734 | ||
| Molecular dynamics simulation of Kv channel voltage sensor helix in a lipid membrane with applied electric field | Q30482832 | ||
| Dynamic control of slow water transport by aquaporin 0: implications for hydration and junction stability in the eye lens | Q30483479 | ||
| Time-resolved mechanism of extracellular gate opening and substrate binding in a glutamate transporter | Q30484136 | ||
| Cooperative gating and spatial organization of membrane proteins through elastic interactions | Q33283726 | ||
| Many-body polarization effects and the membrane dipole potential | Q33893782 | ||
| Energetics of glycerol conduction through aquaglyceroporin GlpF. | Q34067362 | ||
| Environment of the gating charges in the Kv1.2 Shaker potassium channel | Q34524677 | ||
| Mechanism of Na+/H+ antiporting. | Q34661701 | ||
| A finite element framework for studying the mechanical response of macromolecules: application to the gating of the mechanosensitive channel MscL. | Q34830022 | ||
| Sugar binding and protein conformational changes in lactose permease | Q35128998 | ||
| Charge delocalization in proton channels, I: the aquaporin channels and proton blockage | Q35220083 | ||
| Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations. | Q35635569 | ||
| Simulation of the coupling between nucleotide binding and transmembrane domains in the ATP binding cassette transporter BtuCD. | Q35696595 | ||
| Sugar binding in lactose permease: anomeric state of a disaccharide influences binding structure | Q36016281 | ||
| Dynamics of the Kv1.2 voltage-gated K+ channel in a membrane environment | Q36069612 | ||
| How dopamine transporter interacts with dopamine: insights from molecular modeling and simulation | Q36129055 | ||
| Characterization of the resting MscS: modeling and analysis of the closed bacterial mechanosensitive channel of small conductance | Q36402283 | ||
| Ten-microsecond molecular dynamics simulation of a fast-folding WW domain | Q36632160 | ||
| Salt-bridge dynamics control substrate-induced conformational change in the membrane transporter GlpT. | Q36718069 | ||
| Mechanosensitive channel MscS in the open state: modeling of the transition, explicit simulations, and experimental measurements of conductance. | Q36741204 | ||
| Dynamics of the extracellular gate and ion-substrate coupling in the glutamate transporter | Q36838857 | ||
| The roles of pore ring and plug in the SecY protein-conducting channel | Q36980008 | ||
| Dimer opening of the nucleotide binding domains of ABC transporters after ATP hydrolysis | Q36981729 | ||
| Potential cation and H+ binding sites in acid sensing ion channel-1. | Q36981760 | ||
| The selectivity of K+ ion channels: testing the hypotheses | Q36981780 | ||
| Control of ion selectivity in LeuT: two Na+ binding sites with two different mechanisms | Q37103942 | ||
| Membrane proteins: molecular dynamics simulations. | Q37136274 | ||
| An intracellular interaction network regulates conformational transitions in the dopamine transporter. | Q39142337 | ||
| Mechanosensitive membrane channels in action | Q41815235 | ||
| The influence of protonation states on the dynamics of the NhaA antiporter from Escherichia coli | Q41874029 | ||
| Water transport in aquaporins: osmotic permeability matrix analysis of molecular dynamics simulations | Q42183597 | ||
| Straightening and sequential buckling of the pore-lining helices define the gating cycle of MscS. | Q42637892 | ||
| How does a voltage sensor interact with a lipid bilayer? Simulations of a potassium channel domain. | Q42756698 | ||
| The mechanism of a neurotransmitter:sodium symporter--inward release of Na+ and substrate is triggered by substrate in a second binding site | Q42909481 | ||
| P433 | issue | 2 | |
| P304 | page(s) | 128-137 | |
| P577 | publication date | 2009-04-01 | |
| P1433 | published in | Current Opinion in Structural Biology | Q15758416 |
| P1476 | title | Molecular dynamics simulations of membrane channels and transporters | |
| P478 | volume | 19 |
| Q58570589 | A Membrane Burial Potential with H-Bonds and Applications to Curved Membranes and Fast Simulations |
| Q36432482 | A generic force field for protein coarse-grained molecular dynamics simulation |
| Q38735870 | A helix heterodimer in a lipid bilayer: prediction of the structure of an integrin transmembrane domain via multiscale simulations. |
| Q37145710 | A novel implicit solvent model for simulating the molecular dynamics of RNA |
| Q41978221 | A single mutation in a tunnel to the active site changes the mechanism and kinetics of product release in haloalkane dehalogenase LinB. |
| Q35870411 | Aquaporins in clinical medicine |
| Q33573560 | Asymmetric switching in a homodimeric ABC transporter: a simulation study |
| Q35107500 | Atomic level characterization of the nonproton ligand-sensing domain of ASIC3 channels. |
| Q28544943 | Atomistic detailed mechanism and weak cation-conducting activity of HIV-1 Vpu revealed by free energy calculations |
| Q51520971 | Bombardment induced ion transport. Part I: Numerical investigation of bombardment induced ion transport through glasses and membranes on the basis of the Nernst-Planck-Poisson equations. |
| Q51721137 | Bringing ion channel crystal structures into sharper focus with computer modeling: examples from mechanosensitive channels. |
| Q38851972 | Challenges in structural approaches to cell modeling |
| Q37700209 | Cholesterol modulates the dimer interface of the β₂-adrenergic receptor via cholesterol occupancy sites |
| Q57816807 | Computational modeling of ion transport through nanopores |
| Q34742829 | Computational modelling of amino acid exchange and facilitated transport in placental membrane vesicles. |
| Q42869373 | Contribution of electrostatics to the binding of pancreatic-type ribonucleases to membranes |
| Q57816301 | Dynamic Interactions between Lipid-Tethered DNA and Phospholipid Membranes |
| Q62111621 | Electro-Mechanical Conductance Modulation of a Nanopore Using a Removable Gate |
| Q38688342 | Elucidation of the glucose transport pathway in glucose transporter 4 via steered molecular dynamics simulations |
| Q35118094 | Enhanced sampling techniques in molecular dynamics simulations of biological systems |
| Q33922841 | Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations |
| Q33908419 | Exploring the ion selectivity properties of a large number of simplified binding site models |
| Q36912740 | Exploring transmembrane diffusion pathways with molecular dynamics |
| Q27334906 | Functional rotation of the transporter AcrB: insights into drug extrusion from simulations |
| Q37419049 | Genetic Epidemiology of Glucose-6-Dehydrogenase Deficiency in the Arab World |
| Q99711288 | HAuCl4, Putative General Aquaporins Blocker, Reduces Platelet Spreading, Filopodia Formation, Procoagulant Response, and Thrombus Formation Under Flow |
| Q27346636 | Helical unwinding and side-chain unlocking unravel the outward open conformation of the melibiose transporter. |
| Q24273350 | How drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusion |
| Q35047293 | Implementation of Accelerated Molecular Dynamics in NAMD |
| Q35744969 | In Silico Adoption of an Orphan Nuclear Receptor NR4A1 |
| Q27304847 | Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates |
| Q38168995 | Ionic channels as targets for drug design: a review on computational methods |
| Q33837160 | Large conformational changes in proteins: signaling and other functions |
| Q34101056 | Lipid recognition propensities of amino acids in membrane proteins from atomic resolution data |
| Q37858333 | Lipid simulations: a perspective on lipids in action |
| Q38371294 | Lipidbook: a public repository for force-field parameters used in membrane simulations. |
| Q36486923 | Mapping Mechanical Force Propagation through Biomolecular Complexes |
| Q42181223 | Membrane interface composition drives the structure and the tilt of the single transmembrane helix protein PMP1: MD studies |
| Q42650422 | Midpoint cell method for hybrid (MPI+OpenMP) parallelization of molecular dynamics simulations. |
| Q30443341 | Modeling and simulation of ion channels |
| Q26772040 | Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms |
| Q42055120 | Molecular dynamics simulations of creatine kinase and adenine nucleotide translocase in mitochondrial membrane patch |
| Q27329913 | Molecular dynamics simulations reveal proton transfer pathways in cytochrome C-dependent nitric oxide reductase |
| Q41172445 | Molecular simulations of ion channels: a quantum chemist's perspective |
| Q63547192 | Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance |
| Q33718901 | Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins |
| Q33736493 | Not just an oil slick: how the energetics of protein-membrane interactions impacts the function and organization of transmembrane proteins. |
| Q41432409 | Permeation pathway of homomeric connexin 26 and connexin 30 channels investigated by molecular dynamics |
| Q54966402 | Perturbations of Native Membrane Protein Structure in Alkyl Phosphocholine Detergents: A Critical Assessment of NMR and Biophysical Studies. |
| Q36318811 | Polystyrene nanoparticle exposure induces ion-selective pores in lipid bilayers |
| Q34311475 | Probing the periplasmic-open state of lactose permease in response to sugar binding and proton translocation |
| Q42101506 | Quantum and classical dynamics simulations of ATP hydrolysis in solution |
| Q93017246 | Recent Insights from Molecular Dynamics Simulations for G Protein-Coupled Receptor Drug Discovery |
| Q42576636 | Release of Entropic Spring Reveals Conformational Coupling Mechanism in the ABC Transporter BtuCD-F. |
| Q51258209 | Role of the Membrane for Mechanosensing by Tethered Channels. |
| Q34300133 | Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics |
| Q30404965 | Showcasing modern molecular dynamics simulations of membrane proteins through G protein-coupled receptors |
| Q37460922 | Simulations of anion transport through OprP reveal the molecular basis for high affinity and selectivity for phosphate. |
| Q58655856 | Structure and Dynamics of Glycosphingolipids in Lipid Bilayers: Insights from Molecular Dynamics Simulations |
| Q37533574 | Structure and response to flow of the glycocalyx layer |
| Q27676407 | Structure of the Disulfide Bond Generating Membrane Protein DsbB in the Lipid Bilayer |
| Q35925193 | Substrate-modulated ADP/ATP-transporter dynamics revealed by NMR relaxation dispersion |
| Q35227331 | Substrate-modulated gating dynamics in a Na+-coupled neurotransmitter transporter homologue |
| Q39552692 | The Integrin Receptor in Biologically Relevant Bilayers: Insights from Molecular Dynamics Simulations. |
| Q57073538 | The Role of Lipid Interactions in Simulations of the α-Hemolysin Ion-Channel-Forming Toxin |
| Q33813126 | The substrate-driven transition to an inward-facing conformation in the functional mechanism of the dopamine transporter |
| Q28289441 | Transient formation of water-conducting states in membrane transporters |
| Q36123552 | Translocation of nanoparticles through a polymer brush-modified nanochannel |
| Q38259553 | Understanding transporter specificity and the discrete appearance of channel-like gating domains in transporters |
| Q26826746 | Visualizing functional motions of membrane transporters with molecular dynamics simulations |
| Q36007904 | Voltage-dependent conformational changes in connexin channels |
Search more.