The art of Molecular Dynamics Simulations ,2nd Edition,Rapaport 分子动力学模拟最为经典的一本书。 Contents: 1 Introduction 1 1.1 Historical background 1 1.2 Computer simulation 2 1.3 Molecular dynamics 4 1.4 Organization 8 1.5 Further reading 10 2 Basic molecular dynamics 11 2.1 Introduction 11 2.2...
系统标签: simulation bilayer fullerene dynamics molecular fullerenes MolecularDynamicsSimulationStudyofTranslocationofFullereneC60throughSkinBilayer:EffectofConcentrationoverBarrierPropertiesRakeshGuptaandBeenaRai*PhysicalScienceResearchArea,TCSResearchTataResearchDevelopmentandDesignCentre,TataConsultancyServices,54B,HadapsarIndu...
Written especially for the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to devise a model for specific molecules and then how to simulate their movements using a computer. This book provides a collection of methods...
内容提示: From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug Discovery Mayar Ahmed 1† , Alex M. Maldonado 1† , and Jacob D. Durrant 1* 1 Department of Biological Sciences, University of Pittsburgh, Pittsburgh, Pennsylvania, United States of America † These authors ...
reacnetgenerator_anautomaticreactionnetworkgeneratorforreactivemoleculardynamics Thisjournalis©theOwnerSocieties2020Phys.Chem.Chem.Phys.,2020,22,683--691|683Citethis:Phys.Chem.Chem.Phys.,2020,22,683ReacNetGenerator:anautomaticreactionnetworkgeneratorforreactivemoleculardynamicssimulations†JinzheZeng,‡aLiqun...
MOLECULAR DYNAMICS SIMULATION分子动力学模拟
Molecular dynamics simulations of Si etching with energetic F+.pdfAbrams, Cameron FGraves, David BIntroduction, IAbrams, C. F.; Graves, D. B. Molecular dynamics simulations of Si etching by energetic CF3ϩ. J. Appl. Phys. 1999, 86, 5938....
题目:Molecular dynamics simulations of the Debye-Waller effect in shocked copper受冲击铜中德拜-沃勒效应的分子动力学模拟 作者:William J. Murphy,Andrew Higginbotham, and Justin S. Wark DOI: 10.1103/PhysRevB.78.014109 本文分析了静态压缩和冲击铜单晶的非平衡分子动力学模拟所预测的方向相关x射线结构因子和...
Numerical Simulation in Molecular Dynamics 2024 pdf epub mobi 电子书 图书描述 Particle models play an important role in many applications in physics, chemistry and biology. They can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail both the ne...
Molecular dynamics simulations are important tools for understanding the physical basis of the structure and function of biological macromolecules. The early view of proteins as relatively rigid structures has been replaced by a dynamic model in which th