Published in Proteins on February 01, 1999
Structure-based activity prediction for an enzyme of unknown function. Nature (2007) 3.65
Models of the extracellular domain of the nicotinic receptors and of agonist- and Ca2+-binding sites. Proc Natl Acad Sci U S A (2002) 1.78
Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling. J Comput Aided Mol Des (2003) 1.55
Decoys for docking. J Med Chem (2005) 1.43
Inhibition of the NEMO/IKKβ association complex formation, a novel mechanism associated with the NF-κB activation suppression by Withania somnifera's key metabolite withaferin A. BMC Genomics (2010) 1.07
Hsp90/Cdc37 chaperone/co-chaperone complex, a novel junction anticancer target elucidated by the mode of action of herbal drug Withaferin A. BMC Bioinformatics (2011) 0.97
Receptor-based 3D QSAR analysis of estrogen receptor ligands--merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods. J Comput Aided Mol Des (2000) 0.83
Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors. J Comput Aided Mol Des (2001) 0.81
Ashwagandha derived withanone targets TPX2-Aurora A complex: computational and experimental evidence to its anticancer activity. PLoS One (2012) 0.79
Computational modeling of the potential interactions of the proteasome beta5 subunit and catechol-O-methyltransferase-resistant EGCG analogs. Int J Mol Med (2010) 0.77
A comparative reverse docking strategy to identify potential antineoplastic targets of tea functional components and binding mode. Int J Mol Sci (2011) 0.77
Factor Xa: simulation studies with an eye to inhibitor design. J Comput Aided Mol Des (2000) 0.76
Quantitative Correlation of Conformational Binding Enthalpy with Substrate Specificity of Serine Proteases. J Phys Chem B (2016) 0.75
Reduced surface: an efficient way to compute molecular surfaces. Biopolymers (1996) 10.62
Automated docking of flexible ligands: applications of AutoDock. J Mol Recognit (1996) 6.51
Distributed automated docking of flexible ligands to proteins: parallel applications of AutoDock 2.4. J Comput Aided Mol Des (1996) 5.09
Automated docking of substrates to proteins by simulated annealing. Proteins (1990) 4.49
Structural symmetry and protein function. Annu Rev Biophys Biomol Struct (2000) 4.11
The reactivity of anti-peptide antibodies is a function of the atomic mobility of sites in a protein. Nature (1984) 4.05
Tomato bushy stunt virus at 2.9 A resolution. Nature (1978) 2.87
Structure, function and properties of antibody binding sites. J Mol Biol (1991) 2.84
Morphology of protein-protein interfaces. Structure (1998) 1.67
Structure of tomato busy stunt virus IV. The virus particle at 2.9 A resolution. J Mol Biol (1983) 1.64
Identification and analysis of the acyl carrier protein (ACP) docking site on beta-ketoacyl-ACP synthase III. J Biol Chem (2000) 1.54
The atomic mobility component of protein antigenicity. Annu Rev Immunol (1985) 1.40
Shape analysis of molecular surfaces. Biopolymers (1993) 1.27
Soluble proteins: size, shape and function. Trends Biochem Sci (1993) 1.22
Approximation and characterization of molecular surfaces. Biopolymers (1993) 1.03
Viral evolution in response to the broad-based retroviral protease inhibitor TL-3. J Virol (2001) 1.03
Recognition and interactions controlling the assemblies of beta barrel domains. Biophys J (1986) 0.99
Electrostatic orientation of the electron-transfer complex between plastocyanin and cytochrome c. J Biol Chem (1991) 0.98
Analysis of a data set of paired uncomplexed protein structures: new metrics for side-chain flexibility and model evaluation. Proteins (2001) 0.95
Alteration of substrate and inhibitor specificity of feline immunodeficiency virus protease. J Virol (2000) 0.94
Molecular analysis of the feline immunodeficiency virus protease: generation of a novel form of the protease by autoproteolysis and construction of cleavage-resistant proteases. J Virol (1997) 0.94
Residue-residue mean-force potentials for protein structure recognition. Protein Eng (1997) 0.93
Automated docking in crystallography: analysis of the substrates of aconitase. Proteins (1993) 0.92
Revisiting catalysis by chymotrypsin family serine proteases using peptide substrates and inhibitors with unnatural main chains. J Biol Chem (1999) 0.92
Constructing lattice models of protein chains with side groups. J Comput Biol (1995) 0.90
Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease. Proteins (2000) 0.90
Integrating computation and visualization for biomolecular analysis: an example using python and AVS. Pac Symp Biocomput (1999) 0.89
Recognition of protein structure on coarse lattices with residue-residue energy functions. Protein Eng (1997) 0.84
Recognition templates for predicting adenylate-binding sites in proteins. J Mol Biol (2001) 0.84
Ionization state and molecular docking studies for the macrophage migration inhibitory factor: the role of lysine 32 in the catalytic mechanism. J Mol Recognit (2000) 0.83
Building self-avoiding lattice models of proteins using a self-consistent field optimization. Proteins (1996) 0.83
Coevolution and subsite decomposition for the design of resistance-evading HIV-1 protease inhibitors. J Mol Biol (1999) 0.81
Visualizing biological molecules. Sci Am (1992) 0.81
Molecular illustration in black and white. J Mol Graph (1992) 0.80
Docking of 4-oxalocrotonate tautomerase substrates: implications for the catalytic mechanism. Biopolymers (1999) 0.79
Connexin 26 expression and extensive gap junctional coupling in cultures of GT1-7 cells secreting gonadotropin-releasing hormone. Neuroendocrinology (1999) 0.79
Configurational transitions in Fourier series-represented DNA supercoils. Biophys J (1997) 0.78
Texture mapping parametric molecular surfaces. J Mol Graph (1995) 0.77
Approximation and visualization of large-scale motion of protein surfaces. J Mol Graph (1995) 0.77
Interactive modeling of supramolecular assemblies. J Mol Graph Model (1998) 0.77
Coevolutionary analysis of resistance-evading peptidomimetic inhibitors of HIV-1 protease. Proc Natl Acad Sci U S A (1999) 0.77
Biomolecular visualization using AVS. J Mol Graph (1995) 0.77
Computational coevolution of antiviral drug resistance. Artif Life (1998) 0.77
Inhibition of phosphorylcholine binding to antibodies using synthetic peptides. Nature (1987) 0.76
Conditioned media from the injured lower vertebrate CNS promote neurite outgrowth from mammalian brain neurons in vitro. Brain Res (1987) 0.76
Transmembrane alpha-helices in the gap junction membrane channel: systematic search of packing models based on the pair potential function. Microsc Res Tech (2001) 0.76
Probes for double helical DNA sequence information: molecular mechanics study of a proposed model. J Biomol Struct Dyn (1987) 0.75
Serials standards work: the next frontier. Libr Resour Tech Serv (1990) 0.75
Real time surface reconstruction for moving molecular fragments. Pac Symp Biocomput (1997) 0.75
Adjusting potential energy functions for lattice models of chain molecules. Proteins (1996) 0.75
Accurate mean-force pairwise-residue potentials for discrimination of protein folds. Pac Symp Biocomput (1997) 0.75