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Top Articles

#TitleJournalYearCitations
1Electrostatics of nanosystems: Application to microtubules and the ribosomeProceedings of the National Academy of Sciences of the United States of America20016,623
2Integrative analysis of 111 reference human epigenomesNature20155,653
3Distinct and predictive chromatin signatures of transcriptional promoters and enhancers in the human genomeNature Genetics20072,898
4Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular NetworkingNature Biotechnology20162,802
5Molecular dynamics simulations of biomoleculesNature Structural Biology20022,473
6Electrocatalytic and homogeneous approaches to conversion of CO2to liquid fuelsChemical Society Reviews20091,783
7Ribosomally synthesized and post-translationally modified peptide natural products: overview and recommendations for a universal nomenclatureNatural Product Reports20131,692
8Bio3d: an R package for the comparative analysis of protein structuresBioinformatics20061,440
9Specific Covalent Labeling of Recombinant Protein Molecules Inside Live CellsBioinformatics19981,400
10Accelerated molecular dynamics: A promising and efficient simulation method for biomoleculesJournal of Chemical Physics20041,313
11On/off blinking and switching behaviour of single molecules of green fluorescent proteinNature19971,281
12Identification of a signal for rapid export of proteins from the nucleusCell19951,148
13Postsynthetic modification of metal–organic frameworks—a progress reportChemical Society Reviews20111,035
14Molecular Dynamics:  Survey of Methods for Simulating the Activity of ProteinsChemical Reviews20061,007
15A redetermination of the isotopic abundances of atmospheric ArGeochimica Et Cosmochimica Acta2006957
16Identifying airborne transmission as the dominant route for the spread of COVID-19Proceedings of the National Academy of Sciences of the United States of America2020956
17Molecular dynamics simulations and drug discoveryBMC Biology2011881
18Comet 81P/Wild 2 Under a MicroscopeScience2006848
19Cyclic (Alkyl)(Amino)Carbenes (CAACs): Stable Carbenes on the RiseAccounts of Chemical Research2015770
20Protein kinases: evolution of dynamic regulatory proteinsTrends in Biochemical Sciences2011753
21Distinct Epigenomic Landscapes of Pluripotent and Lineage-Committed Human CellsCell Stem Cell2010747
22Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike ProteinACS Central Science2020727
23Isoreticular synthesis and modification of frameworks with the UiO-66 topologyChemical Communications2010707
24Theory of Structural Glasses and Supercooled LiquidsAnnual Review of Physical Chemistry2007683
25Imaging Dynamic Redox Changes in Mammalian Cells with Green Fluorescent Protein IndicatorsJournal of Biological Chemistry2004677
26Detection of Nitroaromatic Explosives Based on Photoluminescent Polymers Containing MetallolesJournal of the American Chemical Society2003651
27Loop and Subdomain Movements in the Mechanism of Escherichia coli Dihydrofolate Reductase:  Crystallographic Evidence,Biochemistry1997649
28Fluorescence Quantum Yields and Their Relation to Lifetimes of Rhodamine 6G and Fluorescein in Nine Solvents: Improved Absolute Standards for Quantum Yields¶Photochemistry and Photobiology2002646
29Fe-Porphyrin-Based Metal–Organic Framework Films as High-Surface Concentration, Heterogeneous Catalysts for Electrochemical Reduction of CO2ACS Catalysis2015639
30Surface comparison of active and inactive protein kinases identifies a conserved activation mechanismProceedings of the National Academy of Sciences of the United States of America2006632
31REGULATION AND INHIBITION OF PHOSPHOLIPASE A2Annual Review of Pharmacology and Toxicology1999560
32Transcriptional regulation via the NF-κB signaling moduleOncogene2006553
33Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy CalculationJournal of Chemical Theory and Computation2015544
34Feedback quantum control of molecular electronic population transferChemical Physics Letters1997509
35Infrared Nanoscopy of Dirac Plasmons at the Graphene–SiO2 InterfaceNano Letters2011500
36A combinatorial TIR1/AFB–Aux/IAA co-receptor system for differential sensing of auxinNature Chemical Biology2012490
37Solvent Dependence of the Fluorescence Lifetimes of Xanthene DyesPhotochemistry and Photobiology1999480
38Revisiting Free Energy Calculations: A Theoretical Connection to MM/PBSA and Direct Calculation of the Association Free EnergyBiophysical Journal2004467
39Targeted bisulfite sequencing reveals changes in DNA methylation associated with nuclear reprogrammingNature Biotechnology2009458
4031P NMR Chemical Shifts of Carbene–Phosphinidene Adducts as an Indicator of the π‐Accepting Properties of CarbenesAngewandte Chemie - International Edition2013447
41Transcriptional burst frequency and burst size are equally modulated across the human genomeProceedings of the National Academy of Sciences of the United States of America2012442
42The Determinants of pKas in ProteinsBiochemistry1996439
43Bringing the ocean into the laboratory to probe the chemical complexity of sea spray aerosolProceedings of the National Academy of Sciences of the United States of America2013439
44Routine Access to Millisecond Time Scale Events with Accelerated Molecular DynamicsJournal of Chemical Theory and Computation2012435
45Biomimetic amplification of nanoparticle homing to tumorsProceedings of the National Academy of Sciences of the United States of America2007434
46NWChem: Past, present, and futureJournal of Chemical Physics2020425
47Phospholipase A2regulation of arachidonic acid mobilizationFEBS Letters2002415
48A missing sink for gas‐phase glyoxal in Mexico City: Formation of secondary organic aerosolGeophysical Research Letters2007415
49Polariton chemistry: controlling molecular dynamics with optical cavitiesChemical Science2018403
50Structure Determination of Membrane Proteins by NMR SpectroscopyChemical Reviews2004396