Improving the efficiency of free energy calculations with the generalized linear response (GLR) method.

被引：0
|
作者：
Chen, X [1 ]
Tropsha, A [1 ]
机构：
[1] Univ N Carolina, Sch Pharm, Div Med Chem & Nat Prod, Lab Mol Modelling, Chapel Hill, NC 27599 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1998年 / 216卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
101-COMP
引用
收藏
页码：U713 / U713
页数：1
相关论文
共 50 条
  • [31] Not adding up: free ridership and spillover calculations in energy efficiency evaluations
    Froio, Zachary
    Kumar, Pranay
    Felder, Frank A.
    ENERGY EFFICIENCY, 2020, 13 (05) : 991 - 1005
  • [32] Calculation of the binding affinity of β-secretase inhibitors using the linear interaction energy method.
    Tounge, BA
    Reynolds, CH
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 226 : U444 - U444
  • [33] Linear basis function approach to efficent alchemical free energy calculations
    Naden, Levi N.
    Shirts, Michael R.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247
  • [34] Evaluation of Generalized Born Model Accuracy for Absolute Binding Free Energy Calculations
    Zeller, Fabian
    Zacharias, Martin
    JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 118 (27): : 7467 - 7474
  • [35] Free-energy calculations in protein folding by generalized-ensemble algorithms
    Sugita, Y
    Okamoto, Y
    COMPUTATIONAL METHODS FOR MACROMOLECULES: CHALLENGES AND APPLICATIONS, 2002, 24 : 304 - 332
  • [36] Improving energy efficiency in colocation data centers for demand response
    Chi, Ce
    Zhang, Fa
    Ji, Kaixuan
    Marahatta, Avinab
    Liu, Zhiyong
    SUSTAINABLE COMPUTING-INFORMATICS & SYSTEMS, 2021, 29
  • [37] On the efficiency of calculations of free vibrations of vibroacoustic systems by the finite element method
    V. V. Mokeev
    Journal of Machinery Manufacture and Reliability, 2007, 36 (4) : 321 - 327
  • [38] On the Efficiency of Calculations of Free Vibrations of Vibroacoustic Systems by the Finite Element Method
    Mokeev, V. V.
    JOURNAL OF MACHINERY MANUFACTURE AND RELIABILITY, 2007, 36 (04): : 321 - 327
  • [39] Method for free-energy calculations using iterative techniques
    Kumar, S
    Payne, PW
    Vasquez, M
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 1996, 17 (10) : 1269 - 1275
  • [40] Accurate calculations of free-energy differences by the distribution method
    Di Wu
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (22):
12345