"Soft docking": Matching of molecular surface cubes

Journal of Molecular Biology

Volumn 219, Issue 1, 1991, Pages 79-102

  Jiang, Fan ^a   Kim, Sung Hou ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

cube representation of molecular surface; Molecular docking; molecular recognition; molecular surface complementarity; soft docking

Indexed keywords

DIHYDROFOLATE REDUCTASE; METHOTREXATE; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; TRYPSIN; TRYPSIN INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; MOLECULAR RECOGNITION; PRIORITY JOURNAL;

ANTIGEN-ANTIBODY COMPLEX; BINDING SITES; DATABASES, FACTUAL; ENZYMES; MODELS, MOLECULAR; MURAMIDASE; PROTEIN CONFORMATION; PROTEINS; TRYPSIN; TRYPSIN INHIBITORS;

EID: 0026310932     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1016/0022-2836(91)90859-5     Document Type: Article

References (48)

1. Surface fractality as a guide for studying protein-protein interactions
2. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
3. Analytical molecular surface calculation
4. A combinatorial algorithm for calculating ligand binding
5. The geometry of the reactive site and of the peptide groups in trypsin, trypsinogen and its complexes with inhibitors
6. AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions