# | Title | Journal | Year | Citations |
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1 | Electrostatics of nanosystems: Application to microtubules and the ribosome | Proceedings of the National Academy of Sciences of the United States of America | 2001 | 6,623 |
2 | Integrative analysis of 111 reference human epigenomes | Nature | 2015 | 5,653 |
3 | Distinct and predictive chromatin signatures of transcriptional promoters and enhancers in the human genome | Nature Genetics | 2007 | 2,898 |
4 | Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking | Nature Biotechnology | 2016 | 2,802 |
5 | Molecular dynamics simulations of biomolecules | Nature Structural Biology | 2002 | 2,473 |
6 | Electrocatalytic and homogeneous approaches to conversion of CO2to liquid fuels | Chemical Society Reviews | 2009 | 1,783 |
7 | Ribosomally synthesized and post-translationally modified peptide natural products: overview and recommendations for a universal nomenclature | Natural Product Reports | 2013 | 1,692 |
8 | Bio3d: an R package for the comparative analysis of protein structures | Bioinformatics | 2006 | 1,440 |
9 | Specific Covalent Labeling of Recombinant Protein Molecules Inside Live Cells | Bioinformatics | 1998 | 1,400 |
10 | Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules | Journal of Chemical Physics | 2004 | 1,313 |
11 | On/off blinking and switching behaviour of single molecules of green fluorescent protein | Nature | 1997 | 1,281 |
12 | Identification of a signal for rapid export of proteins from the nucleus | Cell | 1995 | 1,148 |
13 | Postsynthetic modification of metal–organic frameworks—a progress report | Chemical Society Reviews | 2011 | 1,035 |
14 | Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins | Chemical Reviews | 2006 | 1,007 |
15 | A redetermination of the isotopic abundances of atmospheric Ar | Geochimica Et Cosmochimica Acta | 2006 | 957 |
16 | Identifying airborne transmission as the dominant route for the spread of COVID-19 | Proceedings of the National Academy of Sciences of the United States of America | 2020 | 956 |
17 | Molecular dynamics simulations and drug discovery | BMC Biology | 2011 | 881 |
18 | Comet 81P/Wild 2 Under a Microscope | Science | 2006 | 848 |
19 | Cyclic (Alkyl)(Amino)Carbenes (CAACs): Stable Carbenes on the Rise | Accounts of Chemical Research | 2015 | 770 |
20 | Protein kinases: evolution of dynamic regulatory proteins | Trends in Biochemical Sciences | 2011 | 753 |
21 | Distinct Epigenomic Landscapes of Pluripotent and Lineage-Committed Human Cells | Cell Stem Cell | 2010 | 747 |
22 | Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein | ACS Central Science | 2020 | 727 |
23 | Isoreticular synthesis and modification of frameworks with the UiO-66 topology | Chemical Communications | 2010 | 707 |
24 | Theory of Structural Glasses and Supercooled Liquids | Annual Review of Physical Chemistry | 2007 | 683 |
25 | Imaging Dynamic Redox Changes in Mammalian Cells with Green Fluorescent Protein Indicators | Journal of Biological Chemistry | 2004 | 677 |
26 | Detection of Nitroaromatic Explosives Based on Photoluminescent Polymers Containing Metalloles | Journal of the American Chemical Society | 2003 | 651 |
27 | Loop and Subdomain Movements in the Mechanism of Escherichia coli Dihydrofolate Reductase: Crystallographic Evidence, | Biochemistry | 1997 | 649 |
28 | Fluorescence Quantum Yields and Their Relation to Lifetimes of Rhodamine 6G and Fluorescein in Nine Solvents: Improved Absolute Standards for Quantum Yields¶ | Photochemistry and Photobiology | 2002 | 646 |
29 | Fe-Porphyrin-Based Metal–Organic Framework Films as High-Surface Concentration, Heterogeneous Catalysts for Electrochemical Reduction of CO2 | ACS Catalysis | 2015 | 639 |
30 | Surface comparison of active and inactive protein kinases identifies a conserved activation mechanism | Proceedings of the National Academy of Sciences of the United States of America | 2006 | 632 |
31 | REGULATION AND INHIBITION OF PHOSPHOLIPASE A2 | Annual Review of Pharmacology and Toxicology | 1999 | 560 |
32 | Transcriptional regulation via the NF-κB signaling module | Oncogene | 2006 | 553 |
33 | Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation | Journal of Chemical Theory and Computation | 2015 | 544 |
34 | Feedback quantum control of molecular electronic population transfer | Chemical Physics Letters | 1997 | 509 |
35 | Infrared Nanoscopy of Dirac Plasmons at the Graphene–SiO2 Interface | Nano Letters | 2011 | 500 |
36 | A combinatorial TIR1/AFB–Aux/IAA co-receptor system for differential sensing of auxin | Nature Chemical Biology | 2012 | 490 |
37 | Solvent Dependence of the Fluorescence Lifetimes of Xanthene Dyes | Photochemistry and Photobiology | 1999 | 480 |
38 | Revisiting Free Energy Calculations: A Theoretical Connection to MM/PBSA and Direct Calculation of the Association Free Energy | Biophysical Journal | 2004 | 467 |
39 | Targeted bisulfite sequencing reveals changes in DNA methylation associated with nuclear reprogramming | Nature Biotechnology | 2009 | 458 |
40 | 31P NMR Chemical Shifts of Carbene–Phosphinidene Adducts as an Indicator of the π‐Accepting Properties of Carbenes | Angewandte Chemie - International Edition | 2013 | 447 |
41 | Transcriptional burst frequency and burst size are equally modulated across the human genome | Proceedings of the National Academy of Sciences of the United States of America | 2012 | 442 |
42 | The Determinants of pKas in Proteins | Biochemistry | 1996 | 439 |
43 | Bringing the ocean into the laboratory to probe the chemical complexity of sea spray aerosol | Proceedings of the National Academy of Sciences of the United States of America | 2013 | 439 |
44 | Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics | Journal of Chemical Theory and Computation | 2012 | 435 |
45 | Biomimetic amplification of nanoparticle homing to tumors | Proceedings of the National Academy of Sciences of the United States of America | 2007 | 434 |
46 | NWChem: Past, present, and future | Journal of Chemical Physics | 2020 | 425 |
47 | Phospholipase A2regulation of arachidonic acid mobilization | FEBS Letters | 2002 | 415 |
48 | A missing sink for gas‐phase glyoxal in Mexico City: Formation of secondary organic aerosol | Geophysical Research Letters | 2007 | 415 |
49 | Polariton chemistry: controlling molecular dynamics with optical cavities | Chemical Science | 2018 | 403 |
50 | Structure Determination of Membrane Proteins by NMR Spectroscopy | Chemical Reviews | 2004 | 396 |