Published in J Phys Chem A on May 29, 2008
Biocompatible flavone-based fluorogenic probes for quick wash-free mitochondrial imaging in living cells. ACS Appl Mater Interfaces (2014) 0.78
Molden: a pre- and post-processing program for molecular and electronic structures. J Comput Aided Mol Des (2000) 4.62
Ultrafast fluorescence dynamics of tryptophan in the proteins monellin and IIAGlc. J Am Chem Soc (2006) 1.34
An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer. J Phys Chem B (2005) 3.32
Simulation-based methods for interpreting x-ray data from lipid bilayers. Biophys J (2006) 2.30
Identification of miRNAs associated with tumorigenesis of retinoblastoma by miRNA microarray analysis. Childs Nerv Syst (2008) 2.20
Low-frequency normal modes that describe allosteric transitions in biological nanomachines are robust to sequence variations. Proc Natl Acad Sci U S A (2006) 1.90
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations. J Comput Chem (2007) 1.86
A facile and highly atom-economic approach to biaryl-containing medium-ring bislactones. Chem Commun (Camb) (2011) 1.77
Activity-dependent acceleration of endocytosis at a central synapse. J Neurosci (2005) 1.63
Network of dynamically important residues in the open/closed transition in polymerases is strongly conserved. Structure (2005) 1.60
Isotropic periodic sum: a method for the calculation of long-range interactions. J Chem Phys (2005) 1.53
Effects of denaturants and osmolytes on proteins are accurately predicted by the molecular transfer model. Proc Natl Acad Sci U S A (2008) 1.52
Direct measurement of association and dissociation rates of DNA binding in live cells by fluorescence correlation spectroscopy. Biophys J (2009) 1.52
Chemoreceptors in Caulobacter crescentus: trimers of receptor dimers in a partially ordered hexagonally packed array. J Bacteriol (2008) 1.50
Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles. Org Biomol Chem (2011) 1.49
Long-range Lennard-Jones and electrostatic interactions in interfaces: application of the isotropic periodic sum method. J Phys Chem B (2007) 1.49
Ab initio modeling of glycosyl torsions and anomeric effects in a model carbohydrate: 2-ethoxy tetrahydropyran. Biophys J (2007) 1.48
Long-term and age-dependent restoration of visual function in a mouse model of CNGB3-associated achromatopsia following gene therapy. Hum Mol Genet (2011) 1.47
Increased serum IL-17 and IL-23 in the patient with ankylosing spondylitis. Clin Rheumatol (2010) 1.44
Photoinduced tandem reactions of isoquinoline-1,3,4-trione with alkynes to build aza-polycycles. J Org Chem (2010) 1.44
Compound vesicle fusion increases quantal size and potentiates synaptic transmission. Nature (2009) 1.41
Role of HAMP domains in chemotaxis signaling by bacterial chemoreceptors. Proc Natl Acad Sci U S A (2008) 1.40
Rotation of lipids in membranes: molecular dynamics simulation, 31P spin-lattice relaxation, and rigid-body dynamics. Biophys J (2008) 1.39
CHARMMing: a new, flexible web portal for CHARMM. J Chem Inf Model (2008) 1.38
Normal-modes-based prediction of protein conformational changes guided by distance constraints. Biophys J (2005) 1.37
A core-weighted fitting method for docking atomic structures into low-resolution maps: application to cryo-electron microscopy. J Struct Biol (2003) 1.36
The role of calcium/calmodulin-activated calcineurin in rapid and slow endocytosis at central synapses. J Neurosci (2010) 1.35
Ultrafast fluorescence dynamics of tryptophan in the proteins monellin and IIAGlc. J Am Chem Soc (2006) 1.34
Backbone relaxation coupled to the ionization of internal groups in proteins: a self-guided Langevin dynamics study. Biophys J (2008) 1.34
Self-guided Langevin dynamics study of regulatory interactions in NtrC. Proteins (2009) 1.32
Allosteric transitions in the chaperonin GroEL are captured by a dominant normal mode that is most robust to sequence variations. Biophys J (2007) 1.31
Molecular architecture and mechanism of an icosahedral pyruvate dehydrogenase complex: a multifunctional catalytic machine. EMBO J (2002) 1.30
Computation of Absolute Hydration and Binding Free Energy with Free Energy Perturbation Distributed Replica-Exchange Molecular Dynamics (FEP/REMD). J Chem Theory Comput (2009) 1.30
Dynamical motions of lipids and a finite size effect in simulations of bilayers. J Chem Phys (2006) 1.30
Distribution of mitochondrial NADH fluorescence lifetimes: steady-state kinetics of matrix NADH interactions. Biochemistry (2005) 1.29
Cross-validating FRAP and FCS to quantify the impact of photobleaching on in vivo binding estimates. Biophys J (2010) 1.27
Protein conformational transitions explored by mixed elastic network models. Proteins (2007) 1.26
Artificial reaction coordinate "tunneling" in free-energy calculations: the catalytic reaction of RNase H. J Comput Chem (2009) 1.24
Direct observation of the folding and unfolding of a beta-hairpin in explicit water through computer simulation. J Am Chem Soc (2002) 1.23
Simulations of membranes and other interfacial systems using P2(1) and Pc periodic boundary conditions. Biophys J (2002) 1.21
Probing the local dynamics of nucleotide-binding pocket coupled to the global dynamics: myosin versus kinesin. Biophys J (2005) 1.20
Multiscale methods for macromolecular simulations. Curr Opin Struct Biol (2008) 1.19
A genome-wide association study in Han Chinese identifies a susceptibility locus for primary Sjögren's syndrome at 7q11.23. Nat Genet (2013) 1.19
Osteoprotegerin and RANKL in the pathogenesis of rheumatoid arthritis-induced osteoporosis. Rheumatol Int (2011) 1.17
Sugar binding in lactose permease: anomeric state of a disaccharide influences binding structure. J Mol Biol (2007) 1.15
Using the isotropic periodic sum method to calculate long-range interactions of heterogeneous systems. J Chem Phys (2008) 1.14
Beta-hairpin folding mechanism of a nine-residue peptide revealed from molecular dynamics simulations in explicit water. Biophys J (2004) 1.13
Colony size measurement of the yeast gene deletion strains for functional genomics. BMC Bioinformatics (2007) 1.12
Rapid segmental and subdomain motions of DNA polymerase beta. J Biol Chem (2002) 1.11
Probing the periplasmic-open state of lactose permease in response to sugar binding and proton translocation. J Mol Biol (2010) 1.11
Curcumin protects against radiation-induced acute and chronic cutaneous toxicity in mice and decreases mRNA expression of inflammatory and fibrogenic cytokines. Int J Radiat Oncol Biol Phys (2006) 1.10
Annealing function of GroEL: structural and bioinformatic analysis. Biophys Chem (2003) 1.10
Optimization of multiphoton excitation microscopy by total emission detection using a parabolic light reflector. J Microsc (2007) 1.08
Toward canonical ensemble distribution from self-guided Langevin dynamics simulation. J Chem Phys (2011) 1.08
Improving the performance of molecular dynamics simulations on parallel clusters. J Chem Inf Comput Sci (2004) 1.08
miR-21 Is a Promising Novel Biomarker for Lymph Node Metastasis in Patients with Gastric Cancer. Gastroenterol Res Pract (2012) 1.07
Immunoglobulin deficiencies and susceptibility to infection among homozygotes and heterozygotes for C2 deficiency. J Clin Immunol (2003) 1.06
Identification of the transition states in the inversion of 1,4-benzodiazepines with the ab initio replica path method. J Phys Chem A (2008) 1.06
Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics. Adv Chem Phys (2012) 1.05
pH replica-exchange method based on discrete protonation states. Proteins (2011) 1.04
Interacting proteins Rtt109 and Vps75 affect the efficiency of non-homologous end-joining in Saccharomyces cerevisiae. Arch Biochem Biophys (2007) 1.04
Adjacent gauche stabilization in linear alkanes: implications for polymer models and conformational analysis. J Phys Chem B (2005) 1.04
Factors governing helix formation in peptides confined to carbon nanotubes. Nano Lett (2008) 1.03
Flow cytometric measurement of fluorescence (Förster) resonance energy transfer from cyan fluorescent protein to yellow fluorescent protein using single-laser excitation at 458 nm. Cytometry A (2003) 1.02
Retracted Vapor phase polymerization deposition of conducting polymer/graphene nanocomposites as high performance electrode materials. ACS Appl Mater Interfaces (2013) 1.02
How accurate are polymer models in the analysis of Förster resonance energy transfer experiments on proteins? J Chem Phys (2009) 1.02
Residues in substrate proteins that interact with GroEL in the capture process are buried in the native state. Proc Natl Acad Sci U S A (2006) 1.02
Collective and noncollective models of NMR relaxation in lipid vesicles and multilayers. J Phys Chem B (2008) 1.01
Mutagenesis and modeling of the peroxiredoxin (Prx) complex with the NMR structure of ATP-bound human sulfiredoxin implicate aspartate 187 of Prx I as the catalytic residue in ATP hydrolysis. Biochemistry (2006) 1.01
Toward the mechanism of dynamical couplings and translocation in hepatitis C virus NS3 helicase using elastic network model. Proteins (2007) 1.01
Open science grid study of the coupling between conformation and water content in the interior of a protein. J Chem Inf Model (2008) 1.01
Interleukin 1beta (IL1B) signaling is a critical component of radiation-induced skin fibrosis. Radiat Res (2006) 1.01
Vibrational subsystem analysis: A method for probing free energies and correlations in the harmonic limit. J Chem Phys (2008) 1.00
Molecular origin of constant m-values, denatured state collapse, and residue-dependent transition midpoints in globular proteins. Biochemistry (2009) 1.00
Conformational relaxation and water penetration coupled to ionization of internal groups in proteins. J Phys Chem A (2011) 1.00
An improved method for nonbonded list generation: rapid determination of near-neighbor pairs. J Comput Chem (2003) 1.00
Endoplasmic reticulum stress-associated cone photoreceptor degeneration in cyclic nucleotide-gated channel deficiency. J Biol Chem (2012) 1.00
Modeling protein conformational changes by iterative fitting of distance constraints using reoriented normal modes. Biophys J (2006) 0.99
An integrated intervention program to control diabetes in overweight Chinese women and men with type 2 diabetes. Asia Pac J Clin Nutr (2008) 0.99
Lateral density of receptor arrays in the membrane plane influences sensitivity of the E. coli chemotaxis response. EMBO J (2011) 0.99
Development and validation of empirical force field parameters for netropsin. J Chem Inf Model (2005) 0.99
A computational characterization of boron-oxygen multiple bonding in HN=CH-CH=CH-NH-BO. J Phys Chem A (2008) 0.99
Novel risk loci for rheumatoid arthritis in Han Chinese and congruence with risk variants in Europeans. Arthritis Rheumatol (2014) 0.98
Development of small molecules designed to modulate protein-protein interactions. J Comput Aided Mol Des (2006) 0.97
Probing the "annealing" mechanism of GroEL minichaperone using molecular dynamics simulations. J Mol Biol (2005) 0.97
Coupling between allosteric transitions in GroEL and assisted folding of a substrate protein. Proc Natl Acad Sci U S A (2007) 0.96
Molecular structure of a 9-MDa icosahedral pyruvate dehydrogenase subcomplex containing the E2 and E3 enzymes using cryoelectron microscopy. J Biol Chem (2005) 0.96
The SNARE proteins SNAP25 and synaptobrevin are involved in endocytosis at hippocampal synapses. J Neurosci (2013) 0.96
Force-momentum-based self-guided Langevin dynamics: a rapid sampling method that approaches the canonical ensemble. J Chem Phys (2011) 0.96
Protein recognition motifs: design of peptidomimetics of helix surfaces. Biopolymers (2007) 0.95
Exploring SCC-DFTB paths for mapping QM/MM reaction mechanisms. J Phys Chem A (2007) 0.95
Structure of the boronic acid dimer and the relative stabilities of its conformers. J Phys Chem A (2006) 0.95
Association study between methylenetetrahydrofolate reductase polymorphisms and unexplained recurrent pregnancy loss: a meta-analysis. Gene (2012) 0.95
Thermodynamic perspective on the dock-lock growth mechanism of amyloid fibrils. J Phys Chem B (2009) 0.95
Efficacy and safety of adalimumab in Chinese adults with active ankylosing spondylitis: results of a randomised, controlled trial. Ann Rheum Dis (2013) 0.95