Topic · Enzyme Structure and Function
Most cited papers in Enzyme Structure and Function
What are the most cited papers in Enzyme Structure and Function?
The most cited paper in Enzyme Structure and Function is "A short history of SHELX" (George M. Sheldrick, 2007), with 87,903 citations. Next come "VMD: Visual molecular dynamics" (68,537) and "Highly accurate protein structure prediction with AlphaFold" (47,486).
Showing 50 of 100 papers. Every paper with more than 3,759 citations is listed.
| # | Paper | ||
|---|---|---|---|
| 1 | A short history of SHELX George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography | 21 Dec 2007 | 87,903 |
| 2 | VMD: Visual molecular dynamics William F Humphrey Jr, Andrew Dalke, Klaus J. Schulten · Journal of Molecular Graphics | Feb 1996 | 68,537 |
| 3 | Highly accurate protein structure prediction with AlphaFold John Jumper et al. · Nature | 15 Jul 2021 | 47,486 |
| 4 | Crystal structure refinement with SHELXL George M. Sheldrick · Acta Crystallographica Section C Structural Chemistry | 30 Dec 2014 | 43,688 |
| 5 | The Protein Data Bank Helen Miriam Berman · Nucleic Acids Research | 2000 | 40,564 |
| 6 | Coot : model-building tools for molecular graphics Paul Emsley, Kevin D. Cowtan · Acta Crystallographica Section D Biological Crystallography | 26 Nov 2004 | 31,846 |
| 7 | Features and development of Coot Paul Emsley, Bernhard Lohkamp, William G. Scott et al. · Acta Crystallographica Section D Biological Crystallography | 23 Mar 2010 | 30,245 |
| 8 | PHENIX : a comprehensive Python-based system for macromolecular structure solution Paul D. Adams, Pavel V. Afonine, G. Bunkóczi et al. · Acta Crystallographica Section D Biological Crystallography | 21 Jan 2010 | 24,924 |
| 9 | A simple method for displaying the hydropathic character of a protein Jack Kyte, Russell F. Doolittle · Journal of Molecular Biology | May 1982 | 23,233 |
| 10 | Phaser crystallographic software Airlie J. McCoy, Ralf W. Grosse‐Kunstleve, Paul D. Adams et al. · Journal of Applied Crystallography | 13 Jul 2007 | 21,198 |
| 11 | Polymorphic transitions in single crystals: A new molecular dynamics method Michele Parrinello, Ananda Fathur Rahman · Journal of Applied Physics | Dec 1981 | 20,747 |
| 12 | The Reliability of Molecular Weight Determinations by Dodecyl Sulfate-Polyacrylamide Gel Electrophoresis Karolin Weber, Mary Osborn · Journal of Biological Chemistry | Aug 1969 | 20,350 |
| 13 | WinGX suite for small-molecule single-crystal crystallography Louis J. Farrugia · Journal of Applied Crystallography | Aug 1999 | 18,916 |
| 14 | Scalable molecular dynamics with NAMD James Christopher Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry | 12 Oct 2005 | 17,545 |
| 15 | XDS Wolfgang Kabsch · Acta Crystallographica Section D Biological Crystallography | 21 Jan 2010 | 17,173 |
| 16 | Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features Wolfgang Kabsch, Christian Sander · Biopolymers | Dec 1983 | 15,893 |
| 17 | Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination Axel T. Brünger, Paul D. Adams, G. Marius Clore et al. · Acta Crystallographica Section D Biological Crystallography | Sep 1998 | 15,809 |
| 18 | CHARMM : A program for macromolecular energy, minimization, and dynamics calculations Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry | Jun 1983 | 15,019 |
| 19 | Refinement of Macromolecular Structures by the Maximum-Likelihood Method Garib N. Murshudov, Alexey A. Vagin, E. J. Dodson · Acta Crystallographica Section D Biological Crystallography | May 1997 | 15,006 |
| 20 | MolProbity : all-atom structure validation for macromolecular crystallography Vincent B. Chen, W.B. Arendall, Jeffrey J. Headd et al. · Acta Crystallographica Section D Biological Crystallography | 21 Dec 2009 | 14,901 |
| 21 | All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins Alexander D. MacKerell et al. · The Journal of Physical Chemistry B | Apr 1998 | 14,659 |
| 22 | The Pfam Protein Families Database Alex Bateman · Nucleic Acids Research | 2002 | 14,221 |
| 23 | MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures Per Juris Kraulis · Journal of Applied Crystallography | Oct 1991 | 14,158 |
| 24 | Comparative Protein Modelling by Satisfaction of Spatial Restraints Andrej Šali, Tom L. Blundell · Journal of Molecular Biology | Dec 1993 | 13,351 |
| 25 | Overview of the CCP 4 suite and current developments Martyn Winn, Charles C. Ballard, Kevin D. Cowtan et al. · Acta Crystallographica Section D Biological Crystallography | 17 Mar 2011 | 12,694 |
| 26 | Improved methods for building protein models in electron density maps and the location of errors in these models T. Alwyn Jones, Jin-yu Zou, Sandra W. Cowan et al. · Acta Crystallographica Section A Foundations of Crystallography | Mar 1991 | 12,692 |
| 27 | WinGX and ORTEP for Windows : an update Louis J. Farrugia · Journal of Applied Crystallography | 13 Jul 2012 | 11,995 |
| 28 | ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB James Maier, Carmenza Martinez, Koushik Kasavajhala et al. · Journal of Chemical Theory and Computation | 7 Jul 2015 | 11,534 |
| 29 | cryoSPARC: algorithms for rapid unsupervised cryo-EM structure determination Ali Punjani, John L. Rubinstein, David J. Fleet et al. · Nature Methods | 6 Feb 2017 | 11,217 |
| 30 | Jalview Version 2—a multiple sequence alignment editor and analysis workbench Andrew Mark Waterhouse, James B Procter, David M. A. Martin et al. · Bioinformatics | 16 Jan 2009 | 11,179 |
| 31 | Inference of Macromolecular Assemblies from Crystalline State Evgeny Krissinel, Kim Henrick · Journal of Molecular Biology | 15 May 2007 | 10,600 |
| 32 | CHARMM‐GUI: A web‐based graphical user interface for CHARMM Sunhwan Jo, Taehoon Kim, Vidyashankara Iyer et al. · Journal of Computational Chemistry | 19 Mar 2008 | 10,125 |
| 33 | A Colorimetric Method for the Determination of Serum Glutamic Oxalacetic and Glutamic Pyruvic Transaminases Stanley Reitman, Sam Frankel · American Journal of Clinical Pathology | Jul 1957 | 10,038 |
| 34 | EXPGUI , a graphical user interface for GSAS Brian H. Toby · Journal of Applied Crystallography | Apr 2001 | 9,279 |
| 35 | SIR 97: a new tool for crystal structure determination and refinement Angela Altomare, Maria Cristina Burla, Mercedes Camalli et al. · Journal of Applied Crystallography | Feb 1999 | 9,117 |
| 36 | REFMAC 5 for the refinement of macromolecular crystal structures Garib N. Murshudov, Pavol Skubák, Andrey Andreyevich Lebedev et al. · Acta Crystallographica Section D Biological Crystallography | 17 Mar 2011 | 8,771 |
| 37 | The protein data bank: A computer-based archival file for macromolecular structures Frances C. Bernstein, Thomas F. Koetzle, G. J. B. Williams et al. · Journal of Molecular Biology | May 1977 | 8,653 |
| 38 | AlphaFold Protein Structure Database: massively expanding the structural coverage of protein-sequence space with high-accuracy models Mihály Váradi et al. · Nucleic Acids Research | 19 Oct 2021 | 8,593 |
| 39 | CHARMM36m: an improved force field for folded and intrinsically disordered proteins Jing Huang, Sarah Rauscher, Grzegorz Nawrocki et al. · Nature Methods | 7 Nov 2016 | 7,995 |
| 40 | Solvent content of protein crystals Brian W. Matthews · Journal of Molecular Biology | Apr 1968 | 7,987 |
| 41 | Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix Dorothee Claudia Liebschner et al. · Acta Crystallographica Section D Structural Biology | Oct 2019 | 7,679 |
| 42 | Deciphering key features in protein structures with the new ENDscript server Xavier Robert, Patrice Gouet · Nucleic Acids Research | 21 Apr 2014 | 7,532 |
| 43 | MOLMOL: A program for display and analysis of macromolecular structures Reto Koradi, Martin Billeter, Kurt Wüthrich · Journal of Molecular Graphics | Feb 1996 | 7,190 |
| 44 | Comparison of multiple Amber force fields and development of improved protein backbone parameters Viktor Horn̆ák, Robert Abel, Asim Okur et al. · Proteins Structure Function and Bioinformatics | 15 Sep 2006 | 7,174 |
| 45 | The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling Konstantin Arnold, Lorenza Bordoli, Jürgen Kopp et al. · Bioinformatics | 13 Nov 2005 | 7,119 |
| 46 | THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method Shankar Kumar, John M. Rosenberg, Djamal Bouzida et al. · Journal of Computational Chemistry | Oct 1992 | 7,032 |
| 47 | Genetic regulatory mechanisms in the synthesis of proteins François Jacob, Jacques Monod · Journal of Molecular Biology | Jun 1961 | 6,659 |
| 48 | Improved side‐chain torsion potentials for the Amber ff99SB protein force field Kresten Lindorff‐Larsen, Stefano Piana, Kim Palmö et al. · Proteins Structure Function and Bioinformatics | 10 Mar 2010 | 6,478 |
| 49 | The Thiobarbituric Acid Assay of Sialic Acids Leonard Warren · Journal of Biological Chemistry | Aug 1959 | 6,453 |
| 50 | I-TASSER: a unified platform for automated protein structure and function prediction Ambrish Roy, Alper Küçükural, Yang Zhang · Nature Protocols | 25 Mar 2010 | 6,400 |
Citations are OpenAlex's own counts, from its 2026-09-23 snapshot, so the ranking can differ from Google Scholar or Web of Science. A paper is listed for a field when OpenAlex files it under one of the field's topics; retracted papers and papers whose citation count cannot be traced to citing works are left out, and a preprint and the article it became are shown once. Release dates are OpenAlex's: where a source gave only a month or a year, that is what is shown. How the lists are chosen.