日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Multiscale simulation of microbe structure and dynamics

微生物结构和动力学的多尺度模拟

Joshi, Harshad; Singharoy, Abhishek; Sereda, Yuriy V; Cheluvaraja, Srinath C; Ortoleva, Peter J

Order parameters for macromolecules: application to multiscale simulation

大分子有序参数:在多尺度模拟中的应用

Singharoy, A; Cheluvaraja, S; Ortoleva, P

Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding

计算熵和自由能的方法及其在蛋白质柔性和配体结合问题中的应用

Meirovitch, Hagai; Cheluvaraja, Srinath; White, Ronald P

Entropy and free energy of a mobile protein loop in explicit water

显式水中可移动蛋白质环的熵和自由能

Cheluvaraja, Srinath; Mihailescu, Mihail; Meirovitch, Hagai

Calculation of the entropy and free energy from monte carlo simulations of a peptide stretched by an external force

利用蒙特卡罗模拟计算受外力拉伸肽的熵和自由能

Cheluvaraja, Srinath; Meirovitch, Hagai

Simulation method for calculating the entropy and free energy of peptides and proteins

用于计算肽和蛋白质熵和自由能的模拟方法

Cheluvaraja, Srinath; Meirovitch, Hagai