MOLECULE PK(A) PREDICTION WITH CONTINUUM ELECTROSTATICS CALCULATIONS

被引：61

作者：

POTTER, MJ ^{[1
]}

GILSON, MK ^{[1
]}

MCCAMMON, JA ^{[1
]}

机构：

[1] NIST,CTR ADV RES BIOTECHNOL,ROCKVILLE,MD 20850

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1994年 / 116卷 / 22期

关键词：

D O I：

10.1021/ja00101a059

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：10298 / 10299

页数：2

共 17 条

[11] ENERGETICS OF CHARGE CHARGE INTERACTIONS IN PROTEINS [J].

GILSON, MK ;

HONIG, BH .

PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1988, 3 (01) :32-52

[12] CALCULATING THE ELECTROSTATIC POTENTIAL OF MOLECULES IN SOLUTION - METHOD AND ERROR ASSESSMENT [J].

GILSON, MK ;

SHARP, KA ;

HONIG, BH .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1988, 9 (04) :327-335

[13] THE OPLS POTENTIAL FUNCTIONS FOR PROTEINS - ENERGY MINIMIZATIONS FOR CRYSTALS OF CYCLIC-PEPTIDES AND CRAMBIN [J].

JORGENSEN, WL ;

TIRADORIVES, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (06) :1657-1666

[14]

Martell A. E., 1974, CRITICAL STABILITY C, V1

[15] MULTIGRID SOLUTION OF THE NONLINEAR POISSON-BOLTZMANN EQUATION AND CALCULATION OF TITRATION CURVES [J].

OBEROI, H ;

ALLEWELL, NM .

BIOPHYSICAL JOURNAL, 1993, 65 (01) :48-55

[16] AREAS, VOLUMES, PACKING, AND PROTEIN-STRUCTURE [J].

RICHARDS, FM .

ANNUAL REVIEW OF BIOPHYSICS AND BIOENGINEERING, 1977, 6 :151-176

[17] ON THE CALCULATION OF PK(A)S IN PROTEINS [J].

YANG, AS ;

GUNNER, MR ;

SAMPOGNA, R ;

SHARP, K ;

HONIG, B .

PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1993, 15 (03) :252-265

← 1 2 →