ELECTROSTATIC SOLVATION FREE-ENERGY - A COMPARISON OF CONTINUUM AND FREE-ENERGY PERTURBATION-METHODS

被引:0
|
作者
JEANCHARLES, A [1 ]
TEMPCZYK, A [1 ]
STILL, C [1 ]
SHARP, K [1 ]
HONIG, B [1 ]
机构
[1] COLUMBIA UNIV,DEPT BIOCHEM,NEW YORK,NY 10027
关键词
D O I
暂无
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
引用
收藏
页码:A79 / A79
页数:1
相关论文
共 50 条
  • [1] ELECTROSTATIC CONTRIBUTIONS TO SOLVATION ENERGIES - COMPARISON OF FREE-ENERGY PERTURBATION AND CONTINUUM CALCULATIONS
    JEANCHARLES, A
    NICHOLLS, A
    SHARP, K
    HONIG, B
    TEMPCZYK, A
    HENDRICKSON, TF
    STILL, WC
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (04) : 1454 - 1455
  • [2] OPTIMIZED PERTURBATION-METHODS FOR THE FREE-ENERGY OF THE ANHARMONIC-OSCILLATOR
    VLACHOS, K
    OKOPINSKA, A
    PHYSICS LETTERS A, 1994, 186 (5-6) : 375 - 381
  • [3] FREE-ENERGY OF COMPLEXATION AS A COMPONENT OF FREE-ENERGY OF SOLVATION
    GORBACHUK, VV
    SMIRNOV, SA
    SOLOMONOV, BN
    KONOVALOV, AI
    ZHURNAL OBSHCHEI KHIMII, 1990, 60 (07): : 1441 - 1446
  • [4] FREE-ENERGY PERTURBATION-METHODS IN SIMULATIONS OF COMPLEX MOLECULAR-INTERACTIONS
    SEIBEL, GL
    KOLLMAN, PA
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1987, 193 : 215 - PHYS
  • [5] ELECTROSTATIC FREE-ENERGY OF LYSOZYME
    IMOTO, T
    BIOPHYSICAL JOURNAL, 1983, 44 (03) : 293 - 298
  • [6] APPLICATION OF THE QUANTUM-MECHANICS AND FREE-ENERGY PERTURBATION-METHODS TO STUDY MOLECULAR PROCESSES
    CIEPLAK, P
    SINGH, UC
    KOLLMAN, PA
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1987, : 65 - 74
  • [7] FREE-ENERGY PERTURBATION CALCULATIONS
    KOLLMAN, P
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1989, 197 : 135 - PHYS
  • [8] AB-INITIO FREE-ENERGY PERTURBATION CALCULATIONS OF SOLVATION FREE-ENERGY USING THE FROZEN DENSITY-FUNCTIONAL APPROACH
    WESOLOWSKI, T
    WARSHEL, A
    JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (20): : 5183 - 5187
  • [9] CALCULATIONS ON IONIC SOLVATION .3. ELECTROSTATIC FREE-ENERGY OF SOLVATION OF IONS, USING A MULTILAYERED CONTINUUM MODEL
    ABRAHAM, MH
    LISZI, J
    MESZAROS, L
    JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (05): : 2491 - 2496
  • [10] CALCULATIONS ON IONIC SOLVATION .3. ELECTROSTATIC GIBBS FREE-ENERGY OF SOLVATION ACCORDING TO MULTILAYER CONTINUUM MODELS
    ABRAHAM, MH
    LISZI, J
    MESZAROS, L
    MAGYAR KEMIAI FOLYOIRAT, 1979, 85 (05): : 227 - 233