CALCULATION OF THE FREE-ENERGY PROFILE FOR AN ION CHANNEL

被引:0
|
作者
BASH, PA [1 ]
SINGH, C [1 ]
KOLLMAN, P [1 ]
LANGRIDGE, R [1 ]
机构
[1] UNIV CALIF SAN FRANCISCO,DEPT PHARMACEUT CHEM,SAN FRANCISCO,CA 94143
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:128 / PHYS
相关论文
共 50 条
  • [21] THEORETICAL CALCULATION OF A SOLUTION PHASE TORSIONAL FREE-ENERGY PROFILE - PI-ETHYLIMIDAZOLE IN WATER
    LOWIS, DR
    ESSEX, JW
    RICHARDS, WG
    MOLECULAR SIMULATION, 1993, 9 (06) : 369 - 383
  • [22] Free-energy landscape of ion-channel voltage-sensor-domain activation
    Delemotte, Lucie
    Kasimova, Marina A.
    Klein, Michael L.
    Tarek, Mounir
    Carnevale, Vincenzo
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2015, 112 (01) : 124 - 129
  • [23] Free-Energy Landscapes of Ion Movement through a G-Quadruplex DNA Channel
    Akhshi, Parisa
    Mosey, Nicholas J.
    Wu, Gang
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2012, 51 (12) : 2850 - 2854
  • [24] COMPARISON OF DIFFERENT APPROACHES FOR CALCULATION OF POLYELECTROLYTE FREE-ENERGY
    LUKASHIN, AV
    BEGLOV, DB
    FRANKKAMENETSKII, MD
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 1991, 8 (06): : 1113 - 1118
  • [25] Free-energy calculation methods for collective phenomena in membranes
    Smirnova, Yuliya G.
    Fuhrmans, Marc
    Vidal, Israel A. Barragan
    Mueller, Marcus
    JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2015, 48 (34)
  • [26] Nonequilibrium free-energy calculation of solids using LAMMPS
    Freitas, Rodrigo
    Asta, Mark
    de Koning, Maurice
    COMPUTATIONAL MATERIALS SCIENCE, 2016, 112 : 333 - 341
  • [27] Free-energy calculation of structure-H hydrates
    Okano, Y
    Yasuoka, K
    JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (02):
  • [28] CALCULATION OF FREE-ENERGY AND THERMAL-EXPANSION OF KBR
    HARDY, RJ
    KARO, AM
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1973, 18 (03): : 482 - 482
  • [29] Variationally Optimized Free-Energy Flooding for Rate Calculation
    McCarty, James
    Valsson, Omar
    Tiwary, Pratyush
    Parrinello, Michele
    PHYSICAL REVIEW LETTERS, 2015, 115 (07)
  • [30] Automated free-energy calculation from atomistic simulations
    Menon, Sarath
    Lysogorskiy, Yury
    Rogal, Jutta
    Drautz, Ralf
    PHYSICAL REVIEW MATERIALS, 2021, 5 (10)