標(biāo)題: Titlebook: Computer Simulations in Molecular Biology; Hiqmet Kamberaj Textbook 2023 The Editor(s) (if applicable) and The Author(s), under exclusive [打印本頁] 作者: GLOAT 時(shí)間: 2025-3-21 17:12
書目名稱Computer Simulations in Molecular Biology影響因子(影響力)
書目名稱Computer Simulations in Molecular Biology影響因子(影響力)學(xué)科排名
書目名稱Computer Simulations in Molecular Biology網(wǎng)絡(luò)公開度
書目名稱Computer Simulations in Molecular Biology網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Computer Simulations in Molecular Biology被引頻次
書目名稱Computer Simulations in Molecular Biology被引頻次學(xué)科排名
書目名稱Computer Simulations in Molecular Biology年度引用
書目名稱Computer Simulations in Molecular Biology年度引用學(xué)科排名
書目名稱Computer Simulations in Molecular Biology讀者反饋
書目名稱Computer Simulations in Molecular Biology讀者反饋學(xué)科排名
作者: 微枝末節(jié) 時(shí)間: 2025-3-21 21:40 作者: tolerance 時(shí)間: 2025-3-22 02:08 作者: Eclampsia 時(shí)間: 2025-3-22 06:30
Sectionally Complemented LatticesIn this chapter, we discuss the basis set functions for standard molecular quantum mechanics calculations. Furthermore, the basis sets for quantum periodic systems, such as solids and metals, will be described.作者: 千篇一律 時(shí)間: 2025-3-22 11:35 作者: 孤僻 時(shí)間: 2025-3-22 15:51
The Congruences of a Finite LatticeThis chapter introduces the machine learning quantum mechanics methods and their use in computer simulations. In particular, the focus is on the use of machine learning approach in predicting the potential electronic energy surface and its gradient for QM molecular dynamics simulations.作者: 孤僻 時(shí)間: 2025-3-22 20:01 作者: labyrinth 時(shí)間: 2025-3-23 00:23 作者: encomiast 時(shí)間: 2025-3-23 01:56
The Congruences of a Finite LatticeIn this chapter, we will briefly describe a Python interactive graphical user interface (GUI) for CHARMM package for performing MD simulations of a biological molecular system and standard analysis of . data produced from the simulations.作者: 漸變 時(shí)間: 2025-3-23 09:30
The Congruences of a Finite LatticeThis chapter introduces the setup protocol for preparing a molecular biological system simulation in explicit solvent. The energy minimisation methods are discussed in details. Furthermore, the complete protocol of the equilibration of solvent is shown for a protein system in explicit solvent.作者: BATE 時(shí)間: 2025-3-23 12:56
Sectionally Complemented LatticesThis chapter introduces the normal mode analysis of a protein, which is associated with the energy minimisation.作者: 鉤針織物 時(shí)間: 2025-3-23 15:56
The Congruences of a Finite LatticeThis chapter describes how to run standard MD simulations of a biological system in explicit solvent using different statistical ensembles and numerical integrators.作者: 使聲音降低 時(shí)間: 2025-3-23 20:47
The Congruences of a Finite LatticeThis chapter describes the principal components analysis of biological systems in explicit solvent and the stability of the principal components analysis by comparing the quasi-harmonic modes of different simulation trajectories of the same system.作者: AMITY 時(shí)間: 2025-3-23 22:59
Quantum Mechanics Computer Simulations,In this chapter, we introduce the quantum mechanics molecular models and quantum mechanics molecular dynamics simulations of molecules and biomolecular systems. Besides, the numerical aspects of the non-relativistic electronic structure of molecular systems will be discussed.作者: fidelity 時(shí)間: 2025-3-24 02:53
Basis Set Functions,In this chapter, we discuss the basis set functions for standard molecular quantum mechanics calculations. Furthermore, the basis sets for quantum periodic systems, such as solids and metals, will be described.作者: 充氣女 時(shí)間: 2025-3-24 09:42
Semi-empirical Quantum Mechanics Computer Simulations,In this chapter, we focus on the semi-empirical quantum mechanics approaches and their use in computer simulations.作者: 正式演說 時(shí)間: 2025-3-24 12:36
Machine Learning Quantum Mechanics Computer Simulations,This chapter introduces the machine learning quantum mechanics methods and their use in computer simulations. In particular, the focus is on the use of machine learning approach in predicting the potential electronic energy surface and its gradient for QM molecular dynamics simulations.作者: considerable 時(shí)間: 2025-3-24 18:20
Coarse-Grain Modelling Strategies,In this chapter, the computational coarse-grain modelling strategies are discussed. Besides, different coarse-grained models (CGMs) will be described.作者: Precursor 時(shí)間: 2025-3-24 22:45
,Implementation of?Molecular Dynamics in?Simulations,In this chapter, we will briefly describe the practical aspects of molecular dynamics simulations, such as designing the constraints, periodic boundary conditions, spherical cutoffs, treatment of the long-range interactions (in particular, electrostatic interactions), and identifying the equilibrium states of the simulations.作者: 音的強(qiáng)弱 時(shí)間: 2025-3-25 02:42
Python Interactive GUI for CHARMM Software Package,In this chapter, we will briefly describe a Python interactive graphical user interface (GUI) for CHARMM package for performing MD simulations of a biological molecular system and standard analysis of . data produced from the simulations.作者: Acetaminophen 時(shí)間: 2025-3-25 05:39
Equilibration of a Molecular Biological System Simulation,This chapter introduces the setup protocol for preparing a molecular biological system simulation in explicit solvent. The energy minimisation methods are discussed in details. Furthermore, the complete protocol of the equilibration of solvent is shown for a protein system in explicit solvent.作者: SPECT 時(shí)間: 2025-3-25 08:37
Normal Mode Analysis,This chapter introduces the normal mode analysis of a protein, which is associated with the energy minimisation.作者: 鎮(zhèn)痛劑 時(shí)間: 2025-3-25 15:41 作者: 哀求 時(shí)間: 2025-3-25 19:52 作者: CHASE 時(shí)間: 2025-3-25 22:49 作者: 滑稽 時(shí)間: 2025-3-26 00:26 作者: 貨物 時(shí)間: 2025-3-26 06:05
https://doi.org/10.1007/978-3-031-34839-6Quantum Mechanics Simulations; Coarse-Grained Models; Semi-Empirical Models; Software Trends; Molecular 作者: 閃光東本 時(shí)間: 2025-3-26 09:17 作者: 解凍 時(shí)間: 2025-3-26 14:40
Computer Simulations in Molecular Biology978-3-031-34839-6Series ISSN 1434-8322 Series E-ISSN 2198-2589 作者: Prostaglandins 時(shí)間: 2025-3-26 18:23 作者: Overstate 時(shí)間: 2025-3-27 00:40 作者: 紀(jì)念 時(shí)間: 2025-3-27 02:13
1434-8322 rials and sample algorithms for performing simulations and aThis book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational modeling and machine learning approaches. The book also provides a Python GUI and tutorials for simulating molecular biologic作者: 忘恩負(fù)義的人 時(shí)間: 2025-3-27 06:44 作者: Obituary 時(shí)間: 2025-3-27 13:15
Computational Molecular Modelling, consider the following literature?(Leach .). Besides, we will discuss some new initiatives for the force field development, such as ForceBalance, machine learning, and open force field (OpenFF) approaches.作者: CANDY 時(shí)間: 2025-3-27 14:24 作者: Comprise 時(shí)間: 2025-3-27 20:22 作者: 繁榮中國(guó) 時(shí)間: 2025-3-27 22:05 作者: GUILT 時(shí)間: 2025-3-28 02:39
,Classical Molecular Dynamics Simulations of?Biomolecules,nly because the laws of classical statistical mechanics can largely govern the processes involved at the experimental conditions. Macromolecules, such as proteins, are characterised by dynamics with time scales ranging from nanoseconds to milliseconds. In this chapter, we discuss the molecular dynam作者: 良心 時(shí)間: 2025-3-28 09:15
Computational Molecular Modelling,s is introduced and its parametrisation. For more information about other molecular mechanics force fields and molecular modelling strategies, one can consider the following literature?(Leach .). Besides, we will discuss some new initiatives for the force field development, such as ForceBalance, mac作者: TERRA 時(shí)間: 2025-3-28 13:47
Dilative Rotation, Dilative Reflection in Mathematics, Nature, Art, and Education,nized from a mathematical perspective. These are the compositions of central similitude and different isomorphisms: dilative rotation and dilative reflection. Then we talk about the relationship between the various spirals and the above-mentioned transformations. In the second part, we examine where作者: vitrectomy 時(shí)間: 2025-3-28 15:48
Axiomatizing Bisimulation Equivalences and Metrics from Probabilistic SOS RulesBisimulation equivalences and bisimulation metrics are fundamental notions to describe behavioral relations and distances of states, respectively. We provide a method to generate from a PTSS a sound and ground-complete equational axiomatization for strong and convex bisimilarity. The construction is作者: CAND 時(shí)間: 2025-3-28 21:29
Wahrnehmungsst?rungennd durch Medikamente vorgestellt. Eine besondere Bedeutung kommt dabei dem Delir und dessen Erkennen und Behandeln zu. Besonders relevant sind hier die pflegerischen Interventionen zur Pr?vention des Delirs.作者: TERRA 時(shí)間: 2025-3-28 23:05 作者: 合并 時(shí)間: 2025-3-29 06:13 作者: 異常 時(shí)間: 2025-3-29 10:34 作者: 羅盤 時(shí)間: 2025-3-29 13:27 作者: 鋼筆記下懲罰 時(shí)間: 2025-3-29 15:51 作者: 聚集 時(shí)間: 2025-3-29 22:59
ti-doping law enforcement efforts.Starting with an unprecedented case study in Italy, the intensescrutiny from one pivotal country yields a potential template for research and policy on a world scale. Doping and Sport makes solid contributions to the work of researchers in criminology and criminal j作者: 延期 時(shí)間: 2025-3-30 03:09
Sandra Garridodas von der Landesanstalt für Medien (LfM) initiierte Forschungsprojekt ?Medienstrukturen auf lokaler Ebene“ angesiedelt. Die gewachsenen Anbieterstrukturen und das lokalpublizistische Leistungsspektrum von Medien und Inhalten. bilden die Ausgangsbedingungen für anstehende Ver?nderungen in der Gesam作者: 引起痛苦 時(shí)間: 2025-3-30 06:16 作者: 善于騙人 時(shí)間: 2025-3-30 09:12 作者: BILL 時(shí)間: 2025-3-30 14:17
What Are the Issues Raised by Quantum Mechanics?,reader the basic principles of quantum theory, and emphasize their paradoxical nature, but our main goal is to unravel the incredible amount of confusion, pseudo-science and bad philosophy that accompanies most popular discussions of quantum mechanics.作者: 頌揚(yáng)國(guó)家 時(shí)間: 2025-3-30 19:00
