# | Title | Journal | Year | Citations |
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1 | AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading | Journal of Computational Chemistry | 2010 | 21,573 |
2 | AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility | Journal of Computational Chemistry | 2009 | 16,850 |
3 | Development and testing of a general amber force field | Journal of Computational Chemistry | 2004 | 14,342 |
4 | Bioconductor: open software development for computational biology and bioinformatics | Genome Biology | 2004 | 10,796 |
5 | Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function | Journal of Computational Chemistry | 1998 | 8,897 |
6 | The Amber biomolecular simulation programs | Journal of Computational Chemistry | 2005 | 7,742 |
7 | The hypocretins: Hypothalamus-specific peptides with neuroexcitatory activity | Proceedings of the National Academy of Sciences of the United States of America | 1998 | 3,579 |
8 | Neurons Containing Hypocretin (Orexin) Project to Multiple Neuronal Systems | Journal of Neuroscience | 1998 | 3,182 |
9 | ZFN, TALEN, and CRISPR/Cas-based methods for genome engineering | Trends in Biotechnology | 2013 | 3,116 |
10 | High-Resolution Crystal Structure of an Engineered Human β 2 -Adrenergic G Protein–Coupled Receptor | Science | 2007 | 3,112 |
11 | Proline-Catalyzed Direct Asymmetric Aldol Reactions | Journal of the American Chemical Society | 2000 | 2,580 |
12 | 1H, 13C and 15N chemical shift referencing in biomolecular NMR | Journal of Biomolecular NMR | 1995 | 2,216 |
13 | XtalView/Xfit—A Versatile Program for Manipulating Atomic Coordinates and Electron Density | Journal of Structural Biology | 1999 | 2,099 |
14 | Exploring protein native states and large-scale conformational changes with a modified generalized born model | Proteins: Structure, Function and Bioinformatics | 2004 | 2,068 |
15 | A semiempirical free energy force field with charge-based desolvation | Journal of Computational Chemistry | 2007 | 1,854 |
16 | Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding | Science | 2009 | 1,788 |
17 | Improved technique utilizing nonfat dry milk for analysis of proteins and nucleic acids transferred to nitrocellulose | Gene Analysis Techniques | 1984 | 1,692 |
18 | The 2.6 Angstrom Crystal Structure of a Human A 2A Adenosine Receptor Bound to an Antagonist | Science | 2008 | 1,688 |
19 | Generation of Induced Pluripotent Stem Cells Using Recombinant Proteins | Cell Stem Cell | 2009 | 1,652 |
20 | Structures of the CXCR4 Chemokine GPCR with Small-Molecule and Cyclic Peptide Antagonists | Science | 2010 | 1,610 |
21 | Amyotrophic Lateral Ssclerosis and Structural Defects in Cu,Zn Superoxide Dismutase | Science | 1993 | 1,499 |
22 | Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates | Journal of the American Chemical Society | 2005 | 1,497 |
23 | Broad neutralization coverage of HIV by multiple highly potent antibodies | Nature | 2011 | 1,397 |
24 | GPCR Engineering Yields High-Resolution Structural Insights into β 2 -Adrenergic Receptor Function | Science | 2007 | 1,324 |
25 | Detailed analysis of grid-based molecular docking: A case study of CDOCKER?A CHARMm-based MD docking algorithm | Journal of Computational Chemistry | 2003 | 1,299 |
26 | Automated docking of flexible ligands: Applications of autodock | Journal of Molecular Recognition | 1996 | 1,284 |
27 | Zinc finger proteins: new insights into structural and functional diversity | Current Opinion in Structural Biology | 2001 | 1,240 |
28 | Antibody Recognition of a Highly Conserved Influenza Virus Epitope | Science | 2009 | 1,220 |
29 | Amino Acid Catalyzed Direct Asymmetric Aldol Reactions: A Bioorganic Approach to Catalytic Asymmetric Carbon−Carbon Bond-Forming Reactions | Journal of the American Chemical Society | 2001 | 1,146 |
30 | Assembly of combinatorial antibody libraries on phage surfaces: the gene III site. | Proceedings of the National Academy of Sciences of the United States of America | 1991 | 1,138 |
31 | HOW TCRS BIND MHCS, PEPTIDES, AND CORECEPTORS | Annual Review of Immunology | 2006 | 1,120 |
32 | Proline-catalyzed asymmetric reactions | Tetrahedron | 2002 | 1,118 |
33 | Insights into Protein–Protein Binding by Binding Free Energy Calculation and Free Energy Decomposition for the Ras–Raf and Ras–RalGDS Complexes | Journal of Molecular Biology | 2003 | 1,079 |
34 | GENERALIZEDBORNMODELS OFMACROMOLECULARSOLVATIONEFFECTS | Annual Review of Physical Chemistry | 2000 | 1,073 |
35 | A modified TIP3P water potential for simulation with Ewald summation | Journal of Chemical Physics | 2004 | 1,063 |
36 | Desorption–ionization mass spectrometry on porous silicon | Nature | 1999 | 1,046 |
37 | Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist | Science | 2010 | 1,034 |
38 | Acceleration of the G1/S phase transition by expression of cyclins D1 and E with an inducible system. | Molecular and Cellular Biology | 1994 | 1,012 |
39 | Sirtuin 2 Inhibitors Rescue α-Synuclein-Mediated Toxicity in Models of Parkinson's Disease | Science | 2007 | 995 |
40 | Production of antibodies in transgenic plants | Nature | 1989 | 985 |
41 | Mechanism of coupled folding and binding of an intrinsically disordered protein | Nature | 2007 | 984 |
42 | Modification of the Generalized Born Model Suitable for Macromolecules | Journal of Physical Chemistry B | 2000 | 973 |
43 | Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4 | Journal of Computer-Aided Molecular Design | 1996 | 907 |
44 | Structure-Function of the G Protein–Coupled Receptor Superfamily | Annual Review of Pharmacology and Toxicology | 2013 | 907 |
45 | A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor | Structure | 2008 | 892 |
46 | Structural Biology of Rad50 ATPase | Cell | 2000 | 886 |
47 | Theory and applications of the generalized born solvation model in macromolecular simulations | Biopolymers | 2000 | 878 |
48 | Crystal structures of two viral peptides in complex with murine MHC class I H-2Kb | Science | 1992 | 877 |
49 | Crystal Structure of a Neutralizing Human IgG Against HIV-1: A Template for Vaccine Design | Science | 2001 | 870 |
50 | Structure and Receptor Specificity of the Hemagglutinin from an H5N1 Influenza Virus | Science | 2006 | 865 |