Comparison of van der waals and semiempirical calculations of the molecular volumes of small molecules and proteins

Biopolymers - Nucleic Acid Sciences Section

Volumn 42, Issue 2, 1997, Pages 191-202

  Rellick, Lorraine M ^a   Becktel, Wayne J ^b  

^a OHIO STATE UNIVERSITY   (United States)

^b CAPITAL UNIVERSITY   (United States)

Author keywords

Accessible surface area; Molecular orbital calculation; Molecular volume; Van der waals radius

Indexed keywords

AMINO ACIDS; CALCULATIONS; CARRIER CONCENTRATION; HYDROCARBONS; MATERIALS TESTING; MOLECULES; PROTEINS;

ACCESSIBLE SURFACE AREA; MOLECULAR VOLUMES; SEMIEMPIRICAL MOLECULAR ORBITAL METHOD; VAN DER WAALS RADIUS;

MOLECULAR PHYSICS;

ACETYLENE; ALPHA LACTALBUMIN; BACTERIAL ENZYME; BENZENE; CARBONATE DEHYDRATASE; CHYMOTRYPSIN A; CONCANAVALIN A; CYTOCHROME C; ETHANE; ETHYLENE; HYDROCARBON; LYSOZYME; METHANE; MYOGLOBIN; PAPAIN; PARVALBUMIN; PEPSINOGEN; RIBONUCLEASE A; TRYPSIN; TRYPSIN INHIBITOR;

ALGORITHM; ARTICLE; CALCULATION; COMPUTER ANALYSIS; MOLECULAR MODEL; PROTEIN ANALYSIS; PROTEIN STRUCTURE;

ALGORITHMS; AMINO ACIDS; BIOPHYSICS; DIPEPTIDES; HYDROCARBONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PEPTIDES; PROTEIN CONFORMATION; PROTEINS;

BACTERIA (MICROORGANISMS);

EID: 0031213642     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-0282(199708)42:2<191::aid-bip8>3.0.co;2-i     Document Type: Article

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