ENERGY FUNCTIONS FOR PEPTIDES AND PROTEINS .1. DERIVATION OF A CONSISTENT FORCE-FIELD INCLUDING HYDROGEN-BOND FROM AMIDE CRYSTALS

被引：724

作者：

HAGLER, AT ^{[1
]}

HULER, E ^{[1
]}

LIFSON, S ^{[1
]}

机构：

[1] WEIZMANN INST SCI,CHEM PHYS DEPT,REHOVOTH,ISRAEL

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1974年 / 96卷 / 17期

关键词：

D O I：

10.1021/ja00824a004

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5319 / 5327

页数：9

共 6 条

[1] ENERGY FUNCTIONS FOR PEPTIDES AND PROTEINS .2. AMIDE HYDROGEN-BOND AND CALCULATION OF AMIDE CRYSTAL PROPERTIES
HAGLER, AT
LIFSON, S
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (17) : 5327 - 5335
[2] THE CONSISTENT FORCE-FIELD .1. METHODS AND STRATEGIES FOR OPTIMIZATION OF EMPIRICAL POTENTIAL-ENERGY FUNCTIONS
ENGELSEN, SB
FABRICIUS, J
RASMUSSEN, K
ACTA CHEMICA SCANDINAVICA, 1994, 48 (07): : 548 - 552
[3] CONSISTENT FORCE-FIELD STUDIES OF INTER-MOLECULAR FORCES IN HYDROGEN-BONDED CRYSTALS .3. C=O...H-O HYDROGEN-BOND AND THE ANALYSIS OF THE ENERGETICS AND PACKING OF CARBOXYLIC-ACIDS
HAGLER, AT
DAUBER, P
LIFSON, S
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (18) : 5131 - 5141
[4] CONSISTENT FORCE-FIELD STUDIES OF INTER-MOLECULAR FORCES IN HYDROGEN-BONDED CRYSTALS .1. CARBOXYLIC-ACIDS, AMIDES, AND THE C=O...H- HYDROGEN-BONDS
LIFSON, S
HAGLER, AT
DAUBER, P
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (18) : 5111 - 5121
[5] A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
Liwo, Adam
Sieradzan, Adam K.
Lipska, Agnieszka G.
Czaplewski, Cezary
Joung, InSuk
Zmudzinska, Wioletta
Halabis, Anna
Oldziej, Stanislaw
JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (15):
[6] CONSISTENT PORPHYRIN FORCE-FIELD .1. NORMAL-MODE ANALYSIS FOR NICKEL PORPHINE AND NICKEL TETRAPHENYLPORPHINE FROM RESONANCE RAMAN AND INFRARED-SPECTRA AND ISOTOPE SHIFTS
LI, XY
CZERNUSZEWICZ, RS
KINCAID, JR
SU, YO
SPIRO, TG
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (01): : 31 - 47

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