Published in Structure on July 01, 2007
Atomically detailed simulation of the recovery stroke in myosin by Milestoning. Proc Natl Acad Sci U S A (2010) 1.31
Allosteric communication occurs via networks of tertiary and quaternary motions in proteins. PLoS Comput Biol (2009) 1.18
Muscle and nonmuscle myosins probed by a spin label at equivalent sites in the force-generating domain. Proc Natl Acad Sci U S A (2008) 1.11
Extensive conformational transitions are required to turn on ATP hydrolysis in myosin. J Mol Biol (2008) 1.07
Unsuspected pathway of the allosteric transition in hemoglobin. Proc Natl Acad Sci U S A (2011) 1.04
Targeting of the hair cell proteins cadherin 23, harmonin, myosin XVa, espin, and prestin in an epithelial cell model. J Neurosci (2010) 1.00
Mechanical coupling in myosin V: a simulation study. J Mol Biol (2009) 0.96
Alternative exon 9-encoded relay domains affect more than one communication pathway in the Drosophila myosin head. J Mol Biol (2009) 0.92
Structural basis for drug-induced allosteric changes to human β-cardiac myosin motor activity. Nat Commun (2015) 0.89
Disrupting the myosin converter-relay interface impairs Drosophila indirect flight muscle performance. Biophys J (2011) 0.87
Structural mechanism of the ATP-induced dissociation of rigor myosin from actin. Proc Natl Acad Sci U S A (2011) 0.86
Experimental investigation of the seesaw mechanism of the relay region that moves the myosin lever arm. J Biol Chem (2008) 0.85
Mutating the converter-relay interface of Drosophila myosin perturbs ATPase activity, actin motility, myofibril stability and flight ability. J Mol Biol (2010) 0.85
The superfast human extraocular myosin is kinetically distinct from the fast skeletal IIa, IIb, and IId isoforms. J Biol Chem (2013) 0.82
Allosteric activation transitions in enzymes and biomolecular motors: insights from atomistic and coarse-grained simulations. Top Curr Chem (2013) 0.81
Early stages of the recovery stroke in myosin II studied by molecular dynamics simulations. Protein Sci (2011) 0.81
Energetics of subdomain movements and fluorescence probe solvation environment change in ATP-bound myosin. Eur Biophys J (2008) 0.80
Alternative relay and converter domains tune native muscle myosin isoform function in Drosophila. J Mol Biol (2011) 0.80
Stabilization of the ADP/metaphosphate intermediate during ATP hydrolysis in pre-power stroke myosin: quantitative anatomy of an enzyme. J Biol Chem (2013) 0.79
The mechanism of the converter domain rotation in the recovery stroke of myosin motor protein. Proteins (2012) 0.79
Catalytic strategy used by the myosin motor to hydrolyze ATP. Proc Natl Acad Sci U S A (2014) 0.78
Poorly understood aspects of striated muscle contraction. Biomed Res Int (2015) 0.78
Interactions between relay helix and Src homology 1 (SH1) domain helix drive the converter domain rotation during the recovery stroke of myosin II. Proteins (2012) 0.76
Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2. J Phys Chem B (2011) 0.76
Highly selective inhibition of myosin motors provides the basis of potential therapeutic application. Proc Natl Acad Sci U S A (2016) 0.75
The Relay/Converter Interface Influences Hydrolysis of ATP by Skeletal Muscle Myosin II. J Biol Chem (2015) 0.75
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit. Bioinformatics (2013) 11.01
Solitary fibrous tumors of the pleura. Ann Thorac Surg (2002) 4.78
Transition networks for modeling the kinetics of conformational change in macromolecules. Curr Opin Struct Biol (2008) 3.03
The genetic basis for bacterial mercury methylation. Science (2013) 2.87
Hierarchical analysis of conformational dynamics in biomolecules: transition networks of metastable states. J Chem Phys (2007) 2.23
Is the first hydration shell of lysozyme of higher density than bulk water? Proc Natl Acad Sci U S A (2002) 2.19
Methylene blue: the drug of choice for catecholamine-refractory vasoplegia after cardiopulmonary bypass? J Thorac Cardiovasc Surg (2003) 2.14
Mutant alcohol dehydrogenase leads to improved ethanol tolerance in Clostridium thermocellum. Proc Natl Acad Sci U S A (2011) 1.96
Technique for prolonged normothermic ex vivo lung perfusion. J Heart Lung Transplant (2008) 1.77
Tropomyosin position on F-actin revealed by EM reconstruction and computational chemistry. Biophys J (2011) 1.76
The shape and flexibility of tropomyosin coiled coils: implications for actin filament assembly and regulation. J Mol Biol (2009) 1.75
Neuroendocrine carcinoma (carcinoid) of the thymus associated with Cushing's syndrome. Ann Thorac Surg (2002) 1.74
Health and lifestyle in rural northeast Germany: the findings of a Rural Health Study from 1973, 1994, and 2008. Dtsch Arztebl Int (2012) 1.70
Interleukin-8 release during early reperfusion predicts graft function in human lung transplantation. Am J Respir Crit Care Med (2002) 1.69
Structural mechanism of the recovery stroke in the myosin molecular motor. Proc Natl Acad Sci U S A (2005) 1.66
Translational hydration water dynamics drives the protein glass transition. Biophys J (2003) 1.63
Long-term outcome after pulmonary retransplantation. J Thorac Cardiovasc Surg (2006) 1.59
Interactions between Schwann cells and macrophages in injury and inherited demyelinating disease. Glia (2008) 1.57
Anticoagulation for prosthetic heart valves during pregnancy: is low-molecular-weight heparin an alternative? Eur J Cardiothorac Surg (2002) 1.49
Thrombus formation in a HeartMate II left ventricular assist device. J Thorac Cardiovasc Surg (2008) 1.46
Principal components of the protein dynamical transition. Phys Rev Lett (2003) 1.43
Fluorescence quenching of dyes by tryptophan: interactions at atomic detail from combination of experiment and computer simulation. J Am Chem Soc (2003) 1.42
New nickel(II) diimine complexes and the control of polyethylene microstructure by catalyst design. J Am Chem Soc (2007) 1.40
Clinical relevance of intracranial high intensity transient signals in patients following prosthetic aortic valve replacement. Eur J Cardiothorac Surg (2002) 1.38
The mechanism of the reverse recovery step, phosphate release, and actin activation of Dictyostelium myosin II. J Biol Chem (2008) 1.37
SASSIM: a method for calculating small-angle X-ray and neutron scattering and the associated molecular envelope from explicit-atom models of solvated proteins. Acta Crystallogr D Biol Crystallogr (2002) 1.36
Structural basis of cellulosome efficiency explored by small angle X-ray scattering. J Biol Chem (2005) 1.32
Dual function of the hydration layer around an antifreeze protein revealed by atomistic molecular dynamics simulations. J Am Chem Soc (2008) 1.30
Coarse-grained biomolecular simulation with REACH: realistic extension algorithm via covariance Hessian. Biophys J (2007) 1.30
The relationship between curvature, flexibility and persistence length in the tropomyosin coiled-coil. J Struct Biol (2010) 1.27
TLR ligands and antigen need to be coencapsulated into the same biodegradable microsphere for the generation of potent cytotoxic T lymphocyte responses. Vaccine (2008) 1.26
Paradigm for industrial strain improvement identifies sodium acetate tolerance loci in Zymomonas mobilis and Saccharomyces cerevisiae. Proc Natl Acad Sci U S A (2010) 1.26
Health-related quality of life in two hundred-eighty lung transplant recipients. J Heart Lung Transplant (2005) 1.25
Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction? J Comput Chem (2002) 1.21
Thymomas: review of current clinical practice. Ann Thorac Surg (2009) 1.21
In silico partitioning and transmembrane insertion of hydrophobic peptides under equilibrium conditions. J Am Chem Soc (2011) 1.20
Direct determination of vibrational density of states change on ligand binding to a protein. Phys Rev Lett (2004) 1.20
Immune cells contribute to myelin degeneration and axonopathic changes in mice overexpressing proteolipid protein in oligodendrocytes. J Neurosci (2006) 1.20
Mechanism of primary proton transfer in bacteriorhodopsin. Structure (2004) 1.17
Automated computation of low-energy pathways for complex rearrangements in proteins: application to the conformational switch of Ras p21. Proteins (2005) 1.12
Sleep's function in the spontaneous recovery and consolidation of memories. J Exp Psychol Gen (2007) 1.12
The flexibility of two tropomyosin mutants, D175N and E180G, that cause hypertrophic cardiomyopathy. Biochem Biophys Res Commun (2012) 1.12
Myelin water imaging: Implementation and development at 3.0T and comparison to 1.5T measurements. Magn Reson Med (2009) 1.11
Translocation mechanism of long sugar chains across the maltoporin membrane channel. Structure (2002) 1.11
Fluctuations and correlations in crystalline protein dynamics: a simulation analysis of staphylococcal nuclease. Biophys J (2005) 1.10
Temperature dependence of protein dynamics: computer simulation analysis of neutron scattering properties. Biophys J (2002) 1.09
The alpha helix dipole: screened out? Structure (2005) 1.09
Mechanism and kinetics of peptide partitioning into membranes from all-atom simulations of thermostable peptides. J Am Chem Soc (2010) 1.09
The principal motions involved in the coupling mechanism of the recovery stroke of the myosin motor. J Mol Biol (2006) 1.08
Compartmentation of NAD+-dependent signalling. FEBS Lett (2011) 1.08
Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding. Proc Natl Acad Sci U S A (2007) 1.07
Differential effects of cholesterol, ergosterol and lanosterol on a dipalmitoyl phosphatidylcholine membrane: a molecular dynamics simulation study. J Phys Chem B (2007) 1.05
Recipient T cells mediate reperfusion injury after lung transplantation in the rat. J Immunol (2003) 1.05
Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor. Nat Chem Biol (2011) 1.05
Protein/ligand binding free energies calculated with quantum mechanics/molecular mechanics. J Phys Chem B (2005) 1.05
Role of histone tails in structural stability of the nucleosome. PLoS Comput Biol (2011) 1.04
Renal function and survival in 200 patients undergoing ECMO therapy. Nephrol Dial Transplant (2012) 1.04
Down-regulation of the caffeic acid O-methyltransferase gene in switchgrass reveals a novel monolignol analog. Biotechnol Biofuels (2012) 1.04
A molecular mechanics force field for biologically important sterols. J Comput Chem (2005) 1.03
Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics. J Chem Phys (2011) 1.03
Symptom experience after lung transplantation: impact on quality of life and adherence. Clin Transplant (2007) 1.01
High failure rate after valve-sparing aortic root replacement using the "remodeling technique" in acute type A aortic dissection. Circulation (2002) 1.00
Key role of electrostatic interactions in bacteriorhodopsin proton transfer. J Am Chem Soc (2004) 1.00
Unwrapping of nucleosomal DNA ends: a multiscale molecular dynamics study. Biophys J (2012) 1.00
Attenuation of MCP-1/CCL2 expression ameliorates neuropathy in a mouse model for Charcot-Marie-Tooth 1X. Hum Mol Genet (2010) 0.99
Insights into the chemomechanical coupling of the myosin motor from simulation of its ATP hydrolysis mechanism. Biochemistry (2006) 0.99
Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers. J Comput Chem (2010) 0.98
Neutron frequency windows and the protein dynamical transition. Biophys J (2004) 0.98
Protein dynamics from X-ray crystallography: anisotropic, global motion in diffuse scattering patterns. Proteins (2007) 0.98
Changes in emotional responses to aversive pictures across periods rich in slow-wave sleep versus rapid eye movement sleep. Psychosom Med (2002) 0.98
Curvature variation along the tropomyosin molecule. J Struct Biol (2009) 0.97
Prognostic factors for cure, recurrence and long-term survival after surgical resection of thymoma. J Thorac Oncol (2014) 0.96
Energy resolution and dynamical heterogeneity effects on elastic incoherent neutron scattering from molecular systems. Phys Rev E Stat Nonlin Soft Matter Phys (2003) 0.96
Assessment of net charge and protein-protein interactions of different monoclonal antibodies. J Pharm Sci (2011) 0.96
Lymphoscintigraphic localization of a high-output chylus leak after bilateral lung transplantation. J Heart Lung Transplant (2010) 0.96
Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experiments. Proc Natl Acad Sci U S A (2011) 0.96
Common folding mechanism of a beta-hairpin peptide via non-native turn formation revealed by unbiased molecular dynamics simulations. J Am Chem Soc (2009) 0.95
Risk quantification of early outcome after lung transplantation: donor, recipient, operative, and post-transplant parameters. J Heart Lung Transplant (2004) 0.95
Protein dynamics and stability: the distribution of atomic fluctuations in thermophilic and mesophilic dihydrofolate reductase derived using elastic incoherent neutron scattering. Biophys J (2008) 0.95
Simulations of the myosin II motor reveal a nucleotide-state sensing element that controls the recovery stroke. J Mol Biol (2006) 0.95
Obliterative airway remodelling in transplanted and non-transplanted lungs. Virchows Arch (2010) 0.95
Temperature-dependent dynamical transitions of different classes of amino acid residue in a globular protein. J Am Chem Soc (2012) 0.95
Reorientation and dimerization of the membrane-bound antimicrobial peptide PGLa from microsecond all-atom MD simulations. Biophys J (2012) 0.94
Comparison of inhaled iloprost and nitric oxide in patients with pulmonary hypertension during weaning from cardiopulmonary bypass in cardiac surgery: a prospective randomized trial. J Cardiothorac Vasc Anesth (2008) 0.94
Picosecond fluctuating protein energy landscape mapped by pressure temperature molecular dynamics simulation. Proc Natl Acad Sci U S A (2007) 0.94
Analysis of porcine parvoviruses in tonsils and hearts from healthy pigs reveals high prevalence and genetic diversity in Germany. Arch Virol (2013) 0.93
Lattice dynamics of a protein crystal. Phys Rev Lett (2007) 0.93
Gestalt-binding of tropomyosin on actin during thin filament activation. J Muscle Res Cell Motil (2013) 0.93
Simulation analysis of the temperature dependence of lignin structure and dynamics. J Am Chem Soc (2011) 0.93
Peptide partitioning properties from direct insertion studies. Biophys J (2010) 0.92
Ex vivo repair and renal autotransplantation for complex renal artery aneurysms in a solitary kidney. Ann Vasc Surg (2005) 0.92