MONTE-CARLO SIMULATION OF WATER SOLVENT WITH BIOMOLECULES - GLYCINE AND CORRESPONDING ZWITTERION

被引：57

作者：

ROMANO, S

CLEMENTI, E

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1978年 / 14卷 / 06期

关键词：

D O I：

10.1002/qua.560140614

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：839 / 850

页数：12

共 13 条

[1]

BENEDICT WS, 1956, J CHEM PHYS, V24, P1139, DOI DOI 10.1063/1.1742731

[2]

BOLIS G, 1970, THESIS U MILAN

[3] ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .4. WATER WITH GLYCINE AND SERINE ZWITTERIONS [J].

CAROZZO, L ;

CORONGIU, G ;

PETRONGOLO, C ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (03) :787-793

[4] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .14. COORDINATION NUMBERS FOR SELECTED ION-PAIRS IN WATER [J].

CLEMENTI, E ;

BARSOTTI, R ;

FROMM, J ;

WATTS, RO .

THEORETICA CHIMICA ACTA, 1976, 43 (02) :101-120

[5] ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .1. WATER WITH AMINO-ACIDS [J].

CLEMENTI, E ;

CAVALLONE, F ;

SCORDAMAGLIA, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) :5531-5545

[6] PROPERTIES OF WATER IN BIOLOGICAL-SYSTEMS [J].

COOKE, R ;

KUNTZ, ID .

ANNUAL REVIEW OF BIOPHYSICS AND BIOENGINEERING, 1974, 3 :95-126

[7] MOLECULAR-DYNAMICS OF A MODEL OF ONE ION IN 225 POLAR-MOLECULES [J].

GOSLING, EM ;

SINGER, K .

CHEMICAL PHYSICS LETTERS, 1976, 39 (02) :361-365

[8] COMPUTER-SIMULATION OF SOLVENT STRUCTURE AROUND BIOLOGICAL MACROMOLECULES [J].

HAGLER, AT ;

MOULT, J .

NATURE, 1978, 272 (5650) :222-226

[9] PRECISION NEUTRON-DIFFRACTION STRUCTURE DETERMINATION OF PROTEIN AND NUCLEIC-ACID COMPONENTS .3. CRYSTAL AND MOLECULAR STRUCTURE OF AMINO-ACID ALPHA-GLYCINE [J].

JONSSON, PG ;

KVICK, A .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1972, B 28 (06) :1827-&

[10] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .13. MONTE-CARLO SIMULATION OF LIQUID WATER WITH A CONFIGURATION INTERACTION PAIR POTENTIAL [J].

LIE, GC ;

CLEMENTI, E ;

YOSHIMINE, M .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2314-2323

← 1 2 →