標(biāo)題: Titlebook: An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation; Gregory R. Bowman,Vijay S. Pande,Fran [打印本頁(yè)] 作者: 側(cè)面上下 時(shí)間: 2025-3-21 17:17
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書目名稱An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation讀者反饋
書目名稱An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation讀者反饋學(xué)科排名
作者: FLIRT 時(shí)間: 2025-3-21 23:34
0065-2598 stems.Points readers to freely available software for constr.The aim of this book volume is to explain the importance of Markov state models to molecular simulation, how they work, and how they can be applied to a range of problems..The Markov state model (MSM) approach aims to address two key chall作者: FLAG 時(shí)間: 2025-3-22 03:31 作者: fixed-joint 時(shí)間: 2025-3-22 06:46 作者: 過(guò)份好問(wèn) 時(shí)間: 2025-3-22 09:08
An Overview and Practical Guide to Building Markov State Models,teps commonly used for building MSMs, including an overview of the various options at each stage and their relative merits. Finally, I?will introduce a few advanced topics and conclude with some future directions.作者: pericardium 時(shí)間: 2025-3-22 13:02 作者: 和平主義 時(shí)間: 2025-3-22 19:13
https://doi.org/10.1007/978-94-007-7606-7Master equation models; Molecular dynamics作者: WAG 時(shí)間: 2025-3-23 01:15 作者: 解脫 時(shí)間: 2025-3-23 01:22
An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation978-94-007-7606-7Series ISSN 0065-2598 Series E-ISSN 2214-8019 作者: Enzyme 時(shí)間: 2025-3-23 09:33
,Zur Theorie Politischer Unterstützung,and approaches to validate whether this estimate is consistent with the simulation data at hand..Part of this chapter is reprinted with permission from Prinz et al. (Markov models of molecular kinetics: Generation and validation. J. Chem. Phys. 134:174,105, .). Copyright 2011, American Institute of Physics.作者: 助記 時(shí)間: 2025-3-23 11:46
Estimation and Validation of Markov Models,and approaches to validate whether this estimate is consistent with the simulation data at hand..Part of this chapter is reprinted with permission from Prinz et al. (Markov models of molecular kinetics: Generation and validation. J. Chem. Phys. 134:174,105, .). Copyright 2011, American Institute of Physics.作者: 強(qiáng)壯 時(shí)間: 2025-3-23 13:51
https://doi.org/10.1007/978-3-211-78654-3A brief introduction to Markov state models and the organization of this book.作者: precede 時(shí)間: 2025-3-23 19:05
https://doi.org/10.1007/978-3-642-90966-5An overview of the theory for analyzing the statistical properties of the reactive trajectories by which transitions occur between a set of initial and final states in a Markov model, and thereby obtain e.g. the highest flux pathways between these states.作者: 相一致 時(shí)間: 2025-3-24 00:02
https://doi.org/10.1007/978-3-663-04667-7Understanding how proteins assemble into their final shapes (or “fold”) has been a grand challenge of computational biology for decades. MSM methods have allowed, for the first time, the direct simulation of how proteins fold on the microsecond to 10’s of millisecond timescale, yielding novel insight into the process.作者: magnate 時(shí)間: 2025-3-24 02:27 作者: Antagonism 時(shí)間: 2025-3-24 08:45
Introduction and Overview of This Book,A brief introduction to Markov state models and the organization of this book.作者: Confound 時(shí)間: 2025-3-24 13:40 作者: 出沒 時(shí)間: 2025-3-24 18:40 作者: 謊言 時(shí)間: 2025-3-24 21:33 作者: ALERT 時(shí)間: 2025-3-25 01:27
Gregory R. Bowman,Vijay S. Pande,Frank NoéIn-depth review of the mathematical underpinnings of Markov state models.Practical insight into applying Markov state models to molecular systems.Points readers to freely available software for constr作者: 分離 時(shí)間: 2025-3-25 07:23 作者: licence 時(shí)間: 2025-3-25 10:44
https://doi.org/10.1007/978-3-211-78654-3refore, there are many well-established ways of working with and analyzing these models given a valid set of states. However, defining a set of states sufficient for modeling complex molecular processes, like protein folding, is quite difficult. The main purpose of this chapter is to provide a pract作者: 慷慨不好 時(shí)間: 2025-3-25 12:34 作者: Hallowed 時(shí)間: 2025-3-25 16:44 作者: 大酒杯 時(shí)間: 2025-3-25 20:09 作者: objection 時(shí)間: 2025-3-26 00:29
Erratum: Druckfehlerberichtigung,operties of the molecular system studied, approximated on the discrete state space. Thus, many quantities of interest to the molecular scientist can now be calculated from the Markov model transition matrix rather than from a “direct” analysis of the underlying simulation data. The advantage over a 作者: 鬼魂 時(shí)間: 2025-3-26 06:51 作者: 大炮 時(shí)間: 2025-3-26 08:43
https://doi.org/10.1007/978-3-663-06767-2pin is strongly coupled to its environment, the quantal degrees of freedom must be propagated for hundreds of nanoseconds to calculate spectra with a reasonable resolution of detail. Furthermore, a large number of independent “samples” are necessary for a reliable estimate of the ESR spectrum. For t作者: STALL 時(shí)間: 2025-3-26 15:46 作者: 傳授知識(shí) 時(shí)間: 2025-3-26 20:06
Markov Model Theory,e Model (MSM). We will introduce the dynamical propagator, an error-less, alternative description of the continuous dynamics, and show how MSMs result from its discretization. This allows for an precise understanding of the approximation quality of MSMs in comparison to the continuous dynamics. The 作者: 想象 時(shí)間: 2025-3-26 21:23 作者: 受人支配 時(shí)間: 2025-3-27 03:00
Uncertainty Estimation,s direct comparison with experiments as well as the elucidation of mechanistic pathways for an inherently stochastic process. A vital part of meaningful comparison with experiment is the characterization of the statistical uncertainty in the predicted experimental measurement, which may take the for作者: 金盤是高原 時(shí)間: 2025-3-27 08:37
Analysis of Markov Models,operties of the molecular system studied, approximated on the discrete state space. Thus, many quantities of interest to the molecular scientist can now be calculated from the Markov model transition matrix rather than from a “direct” analysis of the underlying simulation data. The advantage over a 作者: APNEA 時(shí)間: 2025-3-27 10:58 作者: 捕鯨魚叉 時(shí)間: 2025-3-27 15:11 作者: 前奏曲 時(shí)間: 2025-3-27 21:15
Textbook 2014tanding. Additionally, MSMs facilitate the calculation of quantities that are difficult to obtain from more direct MD analyses, such as the ensemble of transition pathways..This book introduces the mathematical foundations of Markov models, how they can be used to analyze simulations and drive effic作者: 令人作嘔 時(shí)間: 2025-3-27 22:56 作者: 閹割 時(shí)間: 2025-3-28 04:57 作者: Delirium 時(shí)間: 2025-3-28 07:06 作者: peptic-ulcer 時(shí)間: 2025-3-28 11:14 作者: 詞匯表 時(shí)間: 2025-3-28 16:33 作者: Anal-Canal 時(shí)間: 2025-3-28 21:03 作者: 態(tài)學(xué) 時(shí)間: 2025-3-28 23:43
,Die Konstitution Politischer Unterstützung,ys. 134:174,105, .). Copyright 2011, American Institute of Physics..A more detailed text book version is to be found in Schütte and Sarich (Metastability and Markov State Models in Molecular Dynamics: Modeling, Analysis, Algorithmic Approaches. Courant Lecture Notes, 24. American Mathematical Societ作者: 灰心喪氣 時(shí)間: 2025-3-29 05:50 作者: Ancestor 時(shí)間: 2025-3-29 09:11
Erratum: Druckfehlerberichtigung,ter. This chapter describes the following quantities that can be calculated from transition matrices: (1)?Eigenvectors and Eigenvalues and their relation to equilibrium relaxation timescales and structural changes. (2)?Metastable states. (3)?Transition pathways. All quantities are illustrated on a s作者: adjacent 時(shí)間: 2025-3-29 13:23 作者: infelicitous 時(shí)間: 2025-3-29 16:53
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