Structural Requirements for Inhibition of the Neuronal Nitric Oxide Synthase (NOS-I): 3D-QSAR Analysis of 4-Oxo- and 4-Amino-Pteridine-Based Inhibitors

Endothelium-derived relaxing factor produced and released from artery and vein is nitric oxide.

1987 • 5,027 citations

NITRIC OXIDE AND MACROPHAGE FUNCTION

1997 • 4,106 citations

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

1980 • 3,898 citations

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

1988 • 3,852 citations

Isolation of nitric oxide synthetase, a calmodulin-requiring enzyme.

1990 • 3,304 citations

Validation of the general purpose tripos 5.2 force field

1989 • 2,743 citations

Solvent-Accessible Surfaces of Proteins and Nucleic Acids

1983 • 2,685 citations

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

1985 • 2,597 citations

Analytical molecular surface calculation

1983 • 2,454 citations

Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity

1994 • 1,772 citations

Nitric oxide synthase structure and mechanism

1993 • 1,342 citations

Nitric Oxide Synthases: Properties and Catalytic Mechanism

1995 • 1,275 citations

A rapid finite difference algorithm, utilizing successive over‐relaxation to solve the Poisson–Boltzmann equation

1991 • 1,257 citations

Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics

1989 • 1,122 citations

Calculating the electrostatic potential of molecules in solution: Method and error assessment

1988 • 1,096 citations

Purification and characterization of particulate endothelium-derived relaxing factor synthase from cultured and native bovine aortic endothelial cells.

1991 • 982 citations

Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies

1988 • 833 citations

Species Distributions, Land Values, and Efficient Conservation

1998 • 825 citations

Focusing of electric fields in the active site of Cu‐Zn superoxide dismutase: Effects of ionic strength and amino‐acid modification

1986 • 759 citations

Methods in Nitric Oxide Research

1997 • 726 citations

Structure of Nitric Oxide Synthase Oxygenase Dimer with Pterin and Substrate

1998 • 659 citations

Role of neuronal nitric oxide in 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)-induced dopaminergic neurotoxicity.

1996 • 626 citations

Crystal Structure of Constitutive Endothelial Nitric Oxide Synthase

1998 • 610 citations

Multivariate Data Analysis in Chemistry

1984 • 602 citations

Calmodulin-dependent endothelium-derived relaxing factor/nitric oxide synthase activity is present in the particulate and cytosolic fractions of bovine aortic endothelial cells.

1991 • 599 citations

Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity

1986 • 598 citations

Nitric Oxide: A New Paradigm for Second Messengers

1995 • 566 citations

Mammalian Nitric Oxide Synthases

1992 • 514 citations

Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane, Octanol, and Water

2000 • 473 citations

Characterization of the novel nitric oxide synthase inhibitor 7‐nitro indazole and related indazoles: antinociceptive and cardiovascular effects

1993 • 470 citations

Three-Dimensional Quantitative Structure−Activity Relationship Analyses Using Comparative Molecular Field Analysis and Comparative Molecular Similarity Indices Analysis To Elucidate Selectivity Differences of Inhibitors Binding to Trypsin, Thrombin, and Factor Xa

1999 • 439 citations

Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation.

1999 • 424 citations

A genetic algorithm for flexible molecular overlay and pharmacophore elucidation

1995 • 385 citations

The Structure of Nitric Oxide Synthase Oxygenase Domain and Inhibitor Complexes

1997 • 344 citations

Notes on the history and nature of partial least squares (PLS) modelling

1988 • 291 citations

The Probability of Chance Correlation Using Partial Least Squares (PLS)

1993 • 290 citations

An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap

1990 • 283 citations

Comparative computer graphics and solution studies of the DNA interaction of substituted anthraquinones based on doxorubicin and mitoxantrone

1985 • 276 citations

Selective inhibition of constitutive nitric oxide synthase by L-NG-nitroarginine

1993 • 274 citations

Identification of N‐iminoethyl‐<scp>l</scp>‐ornithine as an irreversible inhibitor of nitric oxide synthase in phagocytic cells

1991 • 258 citations

Knowledge‐based protein modelling and design

1988 • 246 citations

F<scp>lex</scp>S: A Method for Fast Flexible Ligand Superposition

1998 • 240 citations

Comparative molecular field analysis (CoMFA). 2. Toward its use with 3D-structural databases

1990 • 215 citations

A new approach to analysis and display of local lipophilicity/hydrophilicity mapped on molecular surfaces

1993 • 190 citations

Approaches toward Selective Inhibition of Nitric Oxide Synthase

1994 • 186 citations

Review of ring perception algorithms for chemical graphs

1989 • 184 citations

NG-Methyl-L-arginine functions as an alternate substrate and mechanism-based inhibitor of nitric oxide synthase

1993 • 178 citations

Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals

1995 • 146 citations

Theory, Methods, and Applications

2015 • 140 citations

Different recombination site specificity of two developmentally regulated genome rearrangements

1987 • 136 citations

An evaluation of the performance of an automated procedure for comparative modelling of protein tertiary structure

1993 • 123 citations

Random or Rational Design? Evaluation of Diverse Compound Subsets from Chemical Structure Databases

1998 • 113 citations

Fast generation of molecular surfaces from 3D data fields with an enhanced “marching cube” algorithm

1993 • 97 citations

Thiol Dependence of Nitric Oxide Synthase

1995 • 96 citations

S-Alkyl-l-thiocitrullines

1995 • 81 citations

N^ω-Nitroarginine-Containing Dipeptide Amides. Potent and Highly Selective Inhibitors of Neuronal Nitric Oxide Synthase

1999 • 73 citations

Inhibition of Neuronal Nitric Oxide Synthase by 4-Amino Pteridine Derivatives: Structure−Activity Relationship of Antagonists of (6R)-5,6,7,8-Tetrahydrobiopterin Cofactor

1999 • 63 citations

Extending the trend vector: The trend matrix and sample-based partial least squares

1994 • 61 citations

Recommendations for CoMFA Studies and 3D QSAR Publications

1994 • 55 citations

Anti-pterins as Tools to Characterize the Function of Tetrahydrobiopterin in NO Synthase

1998 • 44 citations

The Role of Nitric Oxide in Migraine Pain

1994 • 30 citations

Entropy in Bi-substrate Enzymes: Proposed Role of an Alternate Site in Chaperoning Substrate into, and Products out of, Thymidylate Synthase

1996 • 28 citations

Structural Basis for Pterin Antagonism in Nitric-oxide Synthase

2001 • 28 citations

Chemometric rationalization of the structural and physicochemical basis for selective cyclooxygenase-2 inhibition: toward more specific ligands.

2000 • 20 citations

Untitled

2000 • 11 citations

Improved Alignment by Weighted Field Fit in CoMFA of Histamine H2 Receptor Agonistic Imidazolylpropylguanidines

1999 • 10 citations

Pteridines. Part XCVII. Synthesis and properties of 6‐thioxanthopterin and 7‐thioisoxanthopterin

1992 • 9 citations

Pteridines CX

1999 • 5 citations