Ligand configurational entropy and protein binding.

PubWeight™: 4.33‹?› | Rank: Top 1%

🔗 View Article (PMC 1780070)

Published in Proc Natl Acad Sci U S A on January 22, 2007

Authors

Chia-en A Chang1, Wei Chen, Michael K Gilson

Author Affiliations

1: Department of Chemistry and Biochemistry, and Center for Theoretical Biological Physics, University of California at San Diego, La Jolla, CA 92093, USA.

Articles citing this

AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem (2010) 25.20

Binding of small-molecule ligands to proteins: "what you see" is not always "what you get". Structure (2009) 2.83

Computations of standard binding free energies with molecular dynamics simulations. J Phys Chem B (2009) 2.80

Empirical entropic contributions in computational docking: evaluation in APS reductase complexes. J Comput Chem (2008) 2.59

Extraction of configurational entropy from molecular simulations via an expansion approximation. J Chem Phys (2007) 1.99

Theory of free energy and entropy in noncovalent binding. Chem Rev (2009) 1.96

A synthetic host-guest system achieves avidin-biotin affinity by overcoming enthalpy-entropy compensation. Proc Natl Acad Sci U S A (2007) 1.87

Target flexibility: an emerging consideration in drug discovery and design. J Med Chem (2008) 1.74

Water in cavity-ligand recognition. J Am Chem Soc (2010) 1.63

The Binding Energy Distribution Analysis Method (BEDAM) for the Estimation of Protein-Ligand Binding Affinities. J Chem Theory Comput (2010) 1.52

Treating entropy and conformational changes in implicit solvent simulations of small molecules. J Phys Chem B (2008) 1.47

Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril. J Chem Phys (2012) 1.47

HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J Am Chem Soc (2008) 1.43

Prediction of protein-ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations. J Comput Aided Mol Des (2010) 1.41

Host-guest complexes with protein-ligand-like affinities: computational analysis and design. J Am Chem Soc (2009) 1.38

MedusaScore: an accurate force field-based scoring function for virtual drug screening. J Chem Inf Model (2008) 1.37

Prediction of the water content in protein binding sites. J Phys Chem B (2009) 1.27

New ultrahigh affinity host-guest complexes of cucurbit[7]uril with bicyclo[2.2.2]octane and adamantane guests: thermodynamic analysis and evaluation of M2 affinity calculations. J Am Chem Soc (2011) 1.27

Computational evaluation of protein-small molecule binding. Curr Opin Struct Biol (2009) 1.27

Molecular evolution of affinity and flexibility in the immune system. Proc Natl Acad Sci U S A (2007) 1.26

Configurational entropy in protein-peptide binding: computational study of Tsg101 ubiquitin E2 variant domain with an HIV-derived PTAP nonapeptide. J Mol Biol (2009) 1.26

Advances in all atom sampling methods for modeling protein-ligand binding affinities. Curr Opin Struct Biol (2011) 1.25

Protein flexibility and conformational entropy in ligand design targeting the carbohydrate recognition domain of galectin-3. J Am Chem Soc (2010) 1.24

Novel analogues of the therapeutic complement inhibitor compstatin with significantly improved affinity and potency. Mol Immunol (2010) 1.18

Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules. J Chem Theory Comput (2012) 1.18

Recent theoretical and computational advances for modeling protein-ligand binding affinities. Adv Protein Chem Struct Biol (2011) 1.15

Prediction of SAMPL3 host-guest affinities with the binding energy distribution analysis method (BEDAM). J Comput Aided Mol Des (2012) 1.09

Entropic contributions and the influence of the hydrophobic environment in promiscuous protein-protein association. Proc Natl Acad Sci U S A (2008) 1.07

Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge. J Comput Aided Mol Des (2014) 0.96

Calculation of Host-Guest Binding Affinities Using a Quantum-Mechanical Energy Model. J Chem Theory Comput (2012) 0.96

Large scale affinity calculations of cyclodextrin host-guest complexes: Understanding the role of reorganization in the molecular recognition process. J Chem Theory Comput (2013) 0.96

Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties. J Chem Theory Comput (2009) 0.94

Inclusion of solvation and entropy in the knowledge-based scoring function for protein-ligand interactions. J Chem Inf Model (2010) 0.92

Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors. J Comput Aided Mol Des (2011) 0.90

Comparison of entropic contributions to binding in a "hydrophilic" versus "hydrophobic" ligand-protein interaction. J Am Chem Soc (2010) 0.89

Elucidating the energetics of entropically driven protein-ligand association: calculations of absolute binding free energy and entropy. J Phys Chem B (2011) 0.88

Accounting for ligand conformational restriction in calculations of protein-ligand binding affinities. Biophys J (2010) 0.87

Event detection and sub-state discovery from biomolecular simulations using higher-order statistics: application to enzyme adenylate kinase. Proteins (2012) 0.86

Conformational variability of benzamidinium-based inhibitors. J Am Chem Soc (2009) 0.86

QM/MM refinement and analysis of protein bound retinoic acid. J Comput Chem (2011) 0.85

Structure of catalytic domain of Matriptase in complex with Sunflower trypsin inhibitor-1. BMC Struct Biol (2011) 0.84

Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse Transcriptase. Comput Mol Biosci (2012) 0.84

Estimating absolute configurational entropies of macromolecules: the minimally coupled subspace approach. PLoS One (2010) 0.84

Binding free energy landscape of domain-peptide interactions. PLoS Comput Biol (2011) 0.84

Toward accurate microscopic calculation of solvation entropies: extending the restraint release approach to studies of solvation effects. J Phys Chem B (2009) 0.84

Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method. J Cheminform (2011) 0.83

Toward a molecular understanding of the interaction of dual specificity phosphatases with substrates: insights from structure-based modeling and high throughput screening. Curr Med Chem (2008) 0.83

Prediction of zanamivir efficiency over the possible 2009 influenza A (H1N1) mutants by multiple molecular dynamics simulations and free energy calculations. J Mol Model (2010) 0.83

Structure-based design of ricin inhibitors. Toxins (Basel) (2011) 0.82

Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration. J Chem Theory Comput (2013) 0.82

Develop and test a solvent accessible surface area-based model in conformational entropy calculations. J Chem Inf Model (2012) 0.81

The Fundamental Role of Flexibility on the Strength of Molecular Binding. Soft Matter (2012) 0.81

A Mixed QM/MM Scoring Function to Predict Protein-Ligand Binding Affinity. J Chem Theory Comput (2010) 0.81

Correlation as a determinant of configurational entropy in supramolecular and protein systems. J Phys Chem B (2014) 0.80

Prediction of substrates for glutathione transferases by covalent docking. J Chem Inf Model (2014) 0.79

Modeling the pharmacodynamics of passive membrane permeability. J Comput Aided Mol Des (2011) 0.78

Docking studies of benzylidene anabaseine interactions with α7 nicotinic acetylcholine receptor (nAChR) and acetylcholine binding proteins (AChBPs): application to the design of related α7 selective ligands. Eur J Med Chem (2011) 0.78

Charting a Path to Success in Virtual Screening. Molecules (2015) 0.78

Binding Energy Distribution Analysis Method: Hamiltonian Replica Exchange with Torsional Flattening for Binding Mode Prediction and Binding Free Energy Estimation. J Chem Theory Comput (2016) 0.78

The measured and calculated affinity of methyl- and methoxy-substituted benzoquinones for the Q(A) site of bacterial reaction centers. Proteins (2010) 0.76

Free-energy calculations for semi-flexible macromolecules: applications to DNA knotting and looping. J Chem Phys (2014) 0.76

Novel Structural Parameters of Ig-Ag Complexes Yield a Quantitative Description of Interaction Specificity and Binding Affinity. Front Immunol (2017) 0.75

Dominant Alcohol-Protein Interaction via Hydration-Enabled Enthalpy-Driven Binding Mechanism. J Phys Chem B (2015) 0.75

Towards a critical evaluation of an empirical and volume-based solvation function for ligand docking. PLoS One (2017) 0.75

(How) does 1,3,5-triethylbenzene scaffolding work? Analyzing the abilities of 1,3,5-triethylbenzene- and 1,3,5-trimethylbenzene-based scaffolds to preorganize the binding elements of supramolecular hosts and to improve binding of targets. Beilstein J Org Chem (2012) 0.75

Assessing the similarity of ligand binding conformations with the Contact Mode Score. Comput Biol Chem (2016) 0.75

Enzymology: Modular biosynthesis branches out. Nature (2013) 0.75

Energetics of Ortho-7 (oxime drug) translocation through the active-site gorge of tabun conjugated acetylcholinesterase. PLoS One (2012) 0.75

Molecular determinants of juvenile hormone action as revealed by 3D QSAR analysis in Drosophila. PLoS One (2009) 0.75

Thermodynamics of host-guest interactions between fullerenes and a buckycatcher. J Phys Chem B (2014) 0.75

Structure-activity relationships and docking studies of synthetic 2-arylindole derivatives determined with aromatase and quinone reductase 1. Bioorg Med Chem Lett (2017) 0.75

Computer-simulation-based selection of optimal monomer for imprinting of tri-O-acetyl adenosine in a polymer matrix: calculations for benzene solution. J Mol Model (2016) 0.75

Organised chaos: entropy in hybrid inorganic-organic systems and other materials. Chem Sci (2016) 0.75

Molecular modeling of class I and II alleles of the major histocompatibility complex in Salmo salar. J Comput Aided Mol Des (2010) 0.75

Articles cited by this

The Protein Data Bank. Nucleic Acids Res (2000) 187.10

The Protein Data Bank: a computer-based archival file for macromolecular structures. J Mol Biol (1977) 90.57

The statistical-thermodynamic basis for computation of binding affinities: a critical review. Biophys J (1997) 7.64

A fast flexible docking method using an incremental construction algorithm. J Mol Biol (1996) 7.33

Ligand efficiency: a useful metric for lead selection. Drug Discov Today (2004) 6.60

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. J Comput Aided Mol Des (1997) 5.71

Further development and validation of empirical scoring functions for structure-based binding affinity prediction. J Comput Aided Mol Des (2002) 5.65

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure. J Comput Aided Mol Des (1994) 3.12

The price of lost freedom: entropy of bimolecular complex formation. Protein Eng (1989) 2.96

Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy. Biophys J (2004) 2.69

Free energy, entropy, and induced fit in host-guest recognition: calculations with the second-generation mining minima algorithm. J Am Chem Soc (2004) 2.36

Side-chain conformational entropy in protein folding. Protein Sci (1995) 2.35

Empirical scale of side-chain conformational entropy in protein folding. J Mol Biol (1993) 2.29

On the calculation of absolute macromolecular binding free energies. Proc Natl Acad Sci U S A (2002) 2.17

Binding affinities of host-guest, protein-ligand, and protein-transition-state complexes. Angew Chem Int Ed Engl (2003) 2.09

Configurational entropy of native proteins. Biophys J (1987) 1.89

Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design. Biophys J (2004) 1.79

Contributions to the binding free energy of ligands to avidin and streptavidin. Proteins (2002) 1.74

Calculation of absolute protein-ligand binding affinity using path and endpoint approaches. Biophys J (2005) 1.65

Entropy calculations on a reversibly folding peptide: changes in solute free energy cannot explain folding behavior. Proteins (2001) 1.63

Tork: Conformational analysis method for molecules and complexes. J Comput Chem (2003) 1.35

Identification of symmetries in molecules and complexes. J Chem Inf Comput Sci (2004) 1.24

Ligand-receptor docking with the Mining Minima optimizer. J Comput Aided Mol Des (2001) 1.23

Enhanced docking with the mining minima optimizer: acceleration and side-chain flexibility. J Comput Chem (2002) 1.19

Concepts in receptor optimization: targeting the RGD peptide. J Am Chem Soc (2006) 1.15

Entropy calculations on the molten globule state of a protein: side-chain entropies of alpha-lactalbumin. Proteins (2002) 1.13

Decomposition of interaction free energies in proteins and other complex systems. J Mol Biol (1995) 1.12

Direct estimation of entropy loss due to reduced translational and rotational motions upon molecular binding. Biopolymers (2005) 1.10

Insights into saquinavir resistance in the G48V HIV-1 protease: quantum calculations and molecular dynamic simulations. Biophys J (2004) 0.97

Thermodynamics of the hydrophobic effect. III. Condensation and aggregation of alkanes, alcohols, and alkylamines. Biophys Chem (2001) 0.96

Novel scoring functions comprising QXP, SASA, and protein side-chain entropy terms. J Chem Inf Comput Sci (2004) 0.89

Articles by these authors

A draft sequence of the rice genome (Oryza sativa L. ssp. indica). Science (2002) 42.78

A genome-wide association study of global gene expression. Nat Genet (2007) 22.98

Global quantification of mammalian gene expression control. Nature (2011) 22.36

Prevalence of chronic kidney disease in China: a cross-sectional survey. Lancet (2012) 10.53

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities. Nucleic Acids Res (2006) 10.36

Discovering microRNAs from deep sequencing data using miRDeep. Nat Biotechnol (2008) 10.17

A stem cell-like chromatin pattern may predispose tumor suppressor genes to DNA hypermethylation and heritable silencing. Nat Genet (2007) 9.47

Pooled analysis of fluorouracil-based adjuvant therapy for stage II and III colon cancer: who benefits and by how much? J Clin Oncol (2004) 7.36

Childhood adiposity, adult adiposity, and cardiovascular risk factors. N Engl J Med (2011) 7.16

Cubic AgPb(m)SbTe(2+m): bulk thermoelectric materials with high figure of merit. Science (2004) 7.07

Pharmacologic disruption of Polycomb-repressive complex 2-mediated gene repression selectively induces apoptosis in cancer cells. Genes Dev (2007) 6.71

Altered histone acetylation is associated with age-dependent memory impairment in mice. Science (2010) 6.38

A human snoRNA with microRNA-like functions. Mol Cell (2008) 5.84

miRDeep2 accurately identifies known and hundreds of novel microRNA genes in seven animal clades. Nucleic Acids Res (2011) 5.83

A genomic screen for genes upregulated by demethylation and histone deacetylase inhibition in human colorectal cancer. Nat Genet (2002) 5.38

Comparative genome hybridization suggests a role for NRXN1 and APBA2 in schizophrenia. Hum Mol Genet (2007) 5.28

Refining the complex rheumatoid arthritis phenotype based on specificity of the HLA-DRB1 shared epitope for antibodies to citrullinated proteins. Arthritis Rheum (2005) 5.18

Childhood cardiovascular risk factors and carotid vascular changes in adulthood: the Bogalusa Heart Study. JAMA (2003) 4.88

Deep sequencing reveals 50 novel genes for recessive cognitive disorders. Nature (2011) 4.85

Formation of MacroH2A-containing senescence-associated heterochromatin foci and senescence driven by ASF1a and HIRA. Dev Cell (2005) 4.83

Sequence and analysis of rice chromosome 4. Nature (2002) 4.39

Transmit and receive transmission line arrays for 7 Tesla parallel imaging. Magn Reson Med (2005) 4.25

Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase. Science (2011) 4.16

Repeated polyploidization of Gossypium genomes and the evolution of spinnable cotton fibres. Nature (2012) 4.00

Estimating accuracy of RNA-Seq and microarrays with proteomics. BMC Genomics (2009) 3.87

Seven new loci associated with age-related macular degeneration. Nat Genet (2013) 3.81

A nonsynonymous functional variant in integrin-alpha(M) (encoded by ITGAM) is associated with systemic lupus erythematosus. Nat Genet (2008) 3.71

Intradiscal injection therapy for degenerative chronic discogenic low back pain with end plate Modic changes. Spine J (2010) 3.55

Array CGH identifies reciprocal 16p13.1 duplications and deletions that predispose to autism and/or mental retardation. Hum Mutat (2007) 3.52

A variant of mitochondrial protein LOC387715/ARMS2, not HTRA1, is strongly associated with age-related macular degeneration. Proc Natl Acad Sci U S A (2007) 3.50

Accelerated Poisson-Boltzmann calculations for static and dynamic systems. J Comput Chem (2002) 3.43

Comparing the DNA hypermethylome with gene mutations in human colorectal cancer. PLoS Genet (2007) 3.39

The long noncoding RNA SChLAP1 promotes aggressive prostate cancer and antagonizes the SWI/SNF complex. Nat Genet (2013) 3.39

Thirty new loci for age at menarche identified by a meta-analysis of genome-wide association studies. Nat Genet (2010) 3.37

E2-2 protein and Fuchs's corneal dystrophy. N Engl J Med (2010) 3.31

Gene expression in skin and lymphoblastoid cells: Refined statistical method reveals extensive overlap in cis-eQTL signals. Am J Hum Genet (2010) 3.28

Rise in insulin resistance is associated with escalated telomere attrition. Circulation (2005) 3.27

Antitumor activity of MLN8054, an orally active small-molecule inhibitor of Aurora A kinase. Proc Natl Acad Sci U S A (2007) 3.27

Quantitative analysis of fission yeast transcriptomes and proteomes in proliferating and quiescent cells. Cell (2012) 3.26

Genome-wide association study identifies variants in the MHC class I, IL10, and IL23R-IL12RB2 regions associated with Behçet's disease. Nat Genet (2010) 3.24

Leukocyte telomeres are longer in African Americans than in whites: the National Heart, Lung, and Blood Institute Family Heart Study and the Bogalusa Heart Study. Aging Cell (2008) 3.24

Beta-arrestin-mediated localization of smoothened to the primary cilium. Science (2008) 3.10

Human plasmacytoid dendritic cells activated by CpG oligodeoxynucleotides induce the generation of CD4+CD25+ regulatory T cells. J Immunol (2004) 3.10

Type 5 adenylyl cyclase disruption increases longevity and protects against stress. Cell (2007) 2.96

Leukocyte telomere dynamics: longitudinal findings among young adults in the Bogalusa Heart Study. Am J Epidemiol (2008) 2.86

Racial diversity of actionable mutations in non-small cell lung cancer. J Thorac Oncol (2015) 2.80

Preperitoneal single-port transvesical enucleation of the prostate (STEP) for large-volume BPH: one-year follow-up of Qmax, IPSS, and QoL. Urology (2012) 2.78

Atrial Fibrillation Is an Independent Predictor of Mortality in Critically Ill Patients. Crit Care Med (2015) 2.77

Single-incision transaxillary robotic thyroidectomy: challenges and limitations in a North American population. Otolaryngol Head Neck Surg (2012) 2.76

Prognostic and predictive value of a microRNA signature in stage II colon cancer: a microRNA expression analysis. Lancet Oncol (2013) 2.67

A maximum entropy model applied to spatial and temporal correlations from cortical networks in vitro. J Neurosci (2008) 2.65

Long noncoding RNA MALAT1 regulates endothelial cell function and vessel growth. Circ Res (2014) 2.60

Analysis of wave behavior in lossy dielectric samples at high field. Magn Reson Med (2002) 2.59

Anesthesiologist board certification and patient outcomes. Anesthesiology (2002) 2.57

Molecular dissection of formation of senescence-associated heterochromatin foci. Mol Cell Biol (2007) 2.56

Different G protein-coupled receptor kinases govern G protein and beta-arrestin-mediated signaling of V2 vasopressin receptor. Proc Natl Acad Sci U S A (2005) 2.53

The microRNA miR-182 is induced by IL-2 and promotes clonal expansion of activated helper T lymphocytes. Nat Immunol (2010) 2.53

Dissecting the genetic complexity of the association between human leukocyte antigens and rheumatoid arthritis. Am J Hum Genet (2002) 2.47

Genome-wide association identifies OBFC1 as a locus involved in human leukocyte telomere biology. Proc Natl Acad Sci U S A (2010) 2.47

A redox-dependent pathway for regulating class II HDACs and cardiac hypertrophy. Cell (2008) 2.47

Childhood uric acid predicts adult blood pressure: the Bogalusa Heart Study. Hypertension (2004) 2.46

The efficacy and safety of milnacipran for treatment of fibromyalgia. a randomized, double-blind, placebo-controlled trial. J Rheumatol (2009) 2.46

MicroRNA, mRNA, and protein expression link development and aging in human and macaque brain. Genome Res (2010) 2.44

Calcium-dependent NOX5 nicotinamide adenine dinucleotide phosphate oxidase contributes to vascular oxidative stress in human coronary artery disease. J Am Coll Cardiol (2008) 2.44

Virtual screening of molecular databases using a support vector machine. J Chem Inf Model (2005) 2.40

Influence of age on associations between childhood risk factors and carotid intima-media thickness in adulthood: the Cardiovascular Risk in Young Finns Study, the Childhood Determinants of Adult Health Study, the Bogalusa Heart Study, and the Muscatine Study for the International Childhood Cardiovascular Cohort (i3C) Consortium. Circulation (2010) 2.39

Free energy, entropy, and induced fit in host-guest recognition: calculations with the second-generation mining minima algorithm. J Am Chem Soc (2004) 2.36

Transforming growth factor (TGF)-β signaling in cardiac remodeling. J Mol Cell Cardiol (2010) 2.35

Characterization of Alisertib (MLN8237), an investigational small-molecule inhibitor of aurora A kinase using novel in vivo pharmacodynamic assays. Clin Cancer Res (2011) 2.35

Ultrahigh field magnetic resonance imaging and spectroscopy. Magn Reson Imaging (2003) 2.34

Exendin-4 improves reversal of diabetes in NOD mice treated with anti-CD3 monoclonal antibody by enhancing recovery of beta-cells. Endocrinology (2007) 2.33

Role of interleukin 17 in inflammation, atherosclerosis, and vascular function in apolipoprotein e-deficient mice. Arterioscler Thromb Vasc Biol (2011) 2.27

Prehypertension and black-white contrasts in cardiovascular risk in young adults: Bogalusa Heart Study. J Hypertens (2009) 2.20

Meta-analysis of Dense Genecentric Association Studies Reveals Common and Uncommon Variants Associated with Height. Am J Hum Genet (2010) 2.15

UCA1, a non-protein-coding RNA up-regulated in bladder carcinoma and embryo, influencing cell growth and promoting invasion. FEBS Lett (2008) 2.14

A three-single-nucleotide polymorphism haplotype in intron 1 of OCA2 explains most human eye-color variation. Am J Hum Genet (2006) 2.14

In vivo 31P magnetic resonance spectroscopy of human brain at 7 T: an initial experience. Magn Reson Med (2003) 2.09

Proton T2 relaxation study of water, N-acetylaspartate, and creatine in human brain using Hahn and Carr-Purcell spin echoes at 4T and 7T. Magn Reson Med (2002) 2.09

Utility of childhood glucose homeostasis variables in predicting adult diabetes and related cardiometabolic risk factors: the Bogalusa Heart Study. Diabetes Care (2009) 2.07

A novel variant of the immunoglobulin fold in surface adhesins of Staphylococcus aureus: crystal structure of the fibrinogen-binding MSCRAMM, clumping factor A. EMBO J (2002) 2.06

Antimicrobial drug-resistant microbes associated with hospitalized community-acquired and healthcare-associated pneumonia: a multi-center study in Taiwan. J Formos Med Assoc (2012) 2.03

Flow-enhanced adhesion regulated by a selectin interdomain hinge. J Cell Biol (2006) 2.02

Regulation of tetrahydrobiopterin biosynthesis by shear stress. Circ Res (2007) 2.01

Body mass index, waist circumference, and clustering of cardiovascular disease risk factors in a biracial sample of children and adolescents. Pediatrics (2004) 2.01

Extraction of configurational entropy from molecular simulations via an expansion approximation. J Chem Phys (2007) 1.99

Regulation of T-cell function by endogenously produced angiotensin II. Am J Physiol Regul Integr Comp Physiol (2008) 1.98

Large-scale gene-centric meta-analysis across 32 studies identifies multiple lipid loci. Am J Hum Genet (2012) 1.96

Theory of free energy and entropy in noncovalent binding. Chem Rev (2009) 1.96

Comparison of seven methods for producing Affymetrix expression scores based on False Discovery Rates in disease profiling data. BMC Bioinformatics (2005) 1.96

Dysregulation of the Hedgehog pathway in human hepatocarcinogenesis. Carcinogenesis (2005) 1.91

In vivo MR imaging tracking of magnetic iron oxide nanoparticle labeled, engineered, autologous bone marrow mesenchymal stem cells following intra-articular injection. Joint Bone Spine (2008) 1.91

Genome-wide analysis of DNA methylation and gene expression changes in two Arabidopsis ecotypes and their reciprocal hybrids. Plant Cell (2012) 1.91

WNK1 and OSR1 regulate the Na+, K+, 2Cl- cotransporter in HeLa cells. Proc Natl Acad Sci U S A (2006) 1.90

Lymphocyte adaptor protein LNK deficiency exacerbates hypertension and end-organ inflammation. J Clin Invest (2015) 1.89

Inherited variation at chromosome 12p13.33, including RAD52, influences the risk of squamous cell lung carcinoma. Cancer Discov (2011) 1.87

A synthetic host-guest system achieves avidin-biotin affinity by overcoming enthalpy-entropy compensation. Proc Natl Acad Sci U S A (2007) 1.87

Utility of childhood BMI in the prediction of adulthood disease: comparison of national and international references. Obes Res (2005) 1.87

T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity (2011) 1.86

Targeting of the orphan receptor GPR35 by pamoic acid: a potent activator of extracellular signal-regulated kinase and β-arrestin2 with antinociceptive activity. Mol Pharmacol (2010) 1.86