Refinement of the thrombin‐bound structure of a hirudin peptide by a restrained electrostatically driven Monte Carlo method

Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids

1975 • 1,532 citations

Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acids

1983 • 947 citations

The Structure of a Complex of Recombinant Hirudin and Human α-Thrombin

1990 • 718 citations

Kinetics of the inhibition of thrombin by hirudin

1986 • 581 citations

Protein structures in solution by nuclear magnetic resonance and distance geometry

1987 • 569 citations

Calculation of protein conformations by proton-proton distance constraints

1985 • 564 citations

Intermolecular potentials from crystal data. 6. Determination of empirical potentials for O-H...O = C hydrogen bonds from packing configurations

1984 • 343 citations

Algorithm 611: Subroutines for Unconstrained Minimization Using a Model/Trust-Region Approach

1983 • 315 citations

[69] Hirudin as an inhibitor of thrombin

1970 • 311 citations

THROMBIN SPECIFICITY*

1981 • 202 citations

On the multiple‐minima problem in the conformational analysis of polypeptides. II. An electrostatically driven Monte Carlo method—tests on poly(<scp>L</scp>‐alanine)

1988 • 163 citations

Thrombin-bound conformation of the C-terminal fragments of hirudin determined by transferred nuclear Overhauser effects

1990 • 79 citations

High-resolution NMR studies of fibrinogen-like peptides in solution: structure of a thrombin-bound peptide corresponding to residues 7-16 of the A.alpha. chain of human fibrinogen

1989 • 79 citations

The multiple-minima problem in the conformational analysis of polypeptides. III. An Electrostatically Driven Monte Carlo Method: Tests on enkephalin

1989 • 70 citations

Calculation of Protein Conformation by the Build-up Procedure. Application to Bovine Pancreatic Trypsin Inhibitor Using Limited Simulated Nuclear Magnetic Resonance Data

1988 • 67 citations

Restrained energy refinement with two different algorithms and force fields of the structure of the α-amylase inhibitor tendamistat determined by nmr in solution

1990 • 55 citations

On the multiple‐minima problem in the conformational analysis of polypeptides. IV. Application of the electrostatically driven monte carlo method to the 20‐residue membrane‐bound portion of melittin

1990 • 52 citations

Invertebrate biology: New medical and scientific uses of the leech

1986 • 45 citations

Hirudins and the role of thrombin: lessons from leeches

1988 • 36 citations

On the multiple‐minima problem in the conformational analysis of polypeptides. V. Application of the self‐consistent electrostatic field and the electrostatically driven monte carlo methods to bovine pancreatic trypsin inhibitor

1991 • 34 citations

Approaches to the Multiple-Minima Problem in Conformational Energy Calculations on Polypeptides and Proteins

1988 • 14 citations

Conformational studies of cyclic peptide structures in solution from ¹H‐Nmr data by distance geometry calculation and restrained energy minimization

1990 • 11 citations

The solution conformations of ferrichrome and deferriferrichrome determined by ¹H‐nmr spectroscopy and computational modeling

1990 • 10 citations