標(biāo)題: Titlebook: Computer Simulation of Biomolecular Systems; Theoretical and Expe Wilfred F. Gunsteren,Paul K. Weiner,Anthony J. Wil Book 1997 Springer Sci [打印本頁] 作者: Body-Mass-Index 時(shí)間: 2025-3-21 17:43
書目名稱Computer Simulation of Biomolecular Systems影響因子(影響力)
書目名稱Computer Simulation of Biomolecular Systems影響因子(影響力)學(xué)科排名
書目名稱Computer Simulation of Biomolecular Systems網(wǎng)絡(luò)公開度
書目名稱Computer Simulation of Biomolecular Systems網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Computer Simulation of Biomolecular Systems被引頻次
書目名稱Computer Simulation of Biomolecular Systems被引頻次學(xué)科排名
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書目名稱Computer Simulation of Biomolecular Systems年度引用學(xué)科排名
書目名稱Computer Simulation of Biomolecular Systems讀者反饋
書目名稱Computer Simulation of Biomolecular Systems讀者反饋學(xué)科排名
作者: AMPLE 時(shí)間: 2025-3-21 21:39 作者: CARE 時(shí)間: 2025-3-22 03:36 作者: Apraxia 時(shí)間: 2025-3-22 06:27 作者: Coronary 時(shí)間: 2025-3-22 11:05
Adiabatic Processes. Laplace’s Theoremis obtained [1,2]. Typically, . integration algorithms are used: new positions and velocities for all atoms are computed in closed form through simple relations involving positions and velocities at previous steps. Standard explicit schemes are simple to formulate and fast to propagate, but they imp作者: ICLE 時(shí)間: 2025-3-22 14:59
Theoretical and Mathematical Physicsy of new molecules with desired properties, such as new pharmaceutical drugs. The use of molecular simulations and the increasing performance of modern computers makes it now possible to study the precise physicochemical nature of protein—ligand interactions, protein engineering, solvation phenomena作者: ICLE 時(shí)間: 2025-3-22 20:48 作者: 變形 時(shí)間: 2025-3-22 22:50 作者: 蒙太奇 時(shí)間: 2025-3-23 03:28 作者: expire 時(shí)間: 2025-3-23 08:45
https://doi.org/10.1007/978-94-010-2254-5ber of atomic interactions involved. For aqueous-phase simulations the computational burden associated with solvent water molecules can easily outstrip that associated with the macromolecule, even though the behavior of the solvent itself may not be of much interest. Not surprisingly therefore, cons作者: 拋棄的貨物 時(shí)間: 2025-3-23 11:49
Foundations of Language Supplementary Seriesres determined at high resolution. High-resolution data provide for a more detailed description of the protein, allowing analysis of the relative flexibility of different regions of the molecule and of the details of water structure.作者: Yag-Capsulotomy 時(shí)間: 2025-3-23 14:31 作者: 樹膠 時(shí)間: 2025-3-23 21:26
https://doi.org/10.1007/978-1-349-81652-1er hardware has become faster and software environments more sophisticated, the amount of detailed information available and its expected level of accuracy has grown steadily [1]. But it has become increasingly clear that the ‘easy’ part of a simulation project is setting up and carrying out the cal作者: 態(tài)度暖昧 時(shí)間: 2025-3-24 01:20 作者: Adrenal-Glands 時(shí)間: 2025-3-24 02:30 作者: theta-waves 時(shí)間: 2025-3-24 07:21 作者: ELUDE 時(shí)間: 2025-3-24 13:27 作者: 去掉 時(shí)間: 2025-3-24 15:58 作者: 不能妥協(xié) 時(shí)間: 2025-3-24 21:03 作者: 支柱 時(shí)間: 2025-3-25 01:48 作者: 污點(diǎn) 時(shí)間: 2025-3-25 05:14
Relation of Motors to RefrigeratorsThe aim of this article is to give an overview of recent developments in Gaussian ‘shape methods’, with an emphasis on their advantages in biological and macromolecular applications.作者: eardrum 時(shí)間: 2025-3-25 07:33
Gaussian shape methodsThe aim of this article is to give an overview of recent developments in Gaussian ‘shape methods’, with an emphasis on their advantages in biological and macromolecular applications.作者: 大溝 時(shí)間: 2025-3-25 15:05
https://doi.org/10.1007/978-3-031-65786-3r groups of atoms). Independently of the scaling with the system size, the evaluation of an empirical interaction function remains usually much cheaper than any other method (size of the prefactor to the scaling) and currently allows for the simulation of systems typically up to 10.–10. atoms.作者: gonioscopy 時(shí)間: 2025-3-25 17:34
https://doi.org/10.1007/978-94-010-2254-5 mutagenesis techniques to help identify the key functional groups of the enzyme. Additionally, X-ray crystallography has advanced to the point where it is now feasible to determine the three-dimensional structure of enzymes, providing us with the ability to visualize the active site and confirm Emi作者: Emasculate 時(shí)間: 2025-3-25 20:31 作者: 者變 時(shí)間: 2025-3-26 02:46 作者: 難理解 時(shí)間: 2025-3-26 07:46
The Infinite Space in the Fourteenth Centuryttice, inventing a potential and then enjoying the luxury of always finding the global minimum of their energies as well as most of the other possible states for a chain of up to a hundred simplified residues [27,47]. The third school shares the impatience of minimalists, yet resists the temptation 作者: Heretical 時(shí)間: 2025-3-26 12:10 作者: ADORE 時(shí)間: 2025-3-26 15:26 作者: BRIDE 時(shí)間: 2025-3-26 17:18
blems involv- ing the structures and reactions of small molecules. Corresponding studies of mesoscopic systems have been undertaken much more recently. Molecular dynamics simulations, which are the primary focus of this volume, represent the most important theoretical approach to macromolecules of biological 978-90-481-8528-3978-94-017-1120-3作者: 肉身 時(shí)間: 2025-3-26 21:00 作者: 車床 時(shí)間: 2025-3-27 02:23
Systematic procedure for the development of accurate QM/MM model Hamiltonians mutagenesis techniques to help identify the key functional groups of the enzyme. Additionally, X-ray crystallography has advanced to the point where it is now feasible to determine the three-dimensional structure of enzymes, providing us with the ability to visualize the active site and confirm Emi作者: 偽證 時(shí)間: 2025-3-27 06:53 作者: 通情達(dá)理 時(shí)間: 2025-3-27 10:01 作者: 吃掉 時(shí)間: 2025-3-27 15:58
Protein structure prediction by global energy optimizationttice, inventing a potential and then enjoying the luxury of always finding the global minimum of their energies as well as most of the other possible states for a chain of up to a hundred simplified residues [27,47]. The third school shares the impatience of minimalists, yet resists the temptation 作者: Pantry 時(shí)間: 2025-3-27 19:01 作者: 中和 時(shí)間: 2025-3-27 23:05
Adiabatic Processes. Laplace’s Theoremose a severe restriction on the integration timestep size: Δt must resolve the most rapid vibrational mode [3]. This generally limits Δt to the femtosecond (10. s) range and the trajectory length to the nanosecond (10. s) range. This feasible simulation range is still very short relative to motions of significant biological interest.作者: carbohydrate 時(shí)間: 2025-3-28 04:12
https://doi.org/10.1007/978-1-349-81652-1mentally determined structure does not prove that this structure is correct, as the analysis of incorrectly determined experimental and deliberately misfolded protein structures shows [15,16]. It is necessary to include the protein—solvent interaction in the refinement process.作者: 少量 時(shí)間: 2025-3-28 06:42
nd elaborated in the second volume [2]. The primary emphasis is on the methodological aspects of simulations, although there are some chapters that present the results obtained for specific systems of biological interest. The focus of this volume has changed somewhat since there are several chapters作者: 微枝末節(jié) 時(shí)間: 2025-3-28 13:14 作者: Detoxification 時(shí)間: 2025-3-28 17:33 作者: Mumble 時(shí)間: 2025-3-28 20:18 作者: HEPA-filter 時(shí)間: 2025-3-29 02:51 作者: epicondylitis 時(shí)間: 2025-3-29 04:17 作者: single 時(shí)間: 2025-3-29 10:44
Incorporation of solvation energy contributions for energy refinement and folding of proteinsmentally determined structure does not prove that this structure is correct, as the analysis of incorrectly determined experimental and deliberately misfolded protein structures shows [15,16]. It is necessary to include the protein—solvent interaction in the refinement process.作者: headlong 時(shí)間: 2025-3-29 13:48
Theoretical and Mathematical Physicsing the resulting mathematical models. This paper explores the capabilities of recursive dynamics methods for reducing the computational effort required for studying complex molecular systems. A numerical example is presented that demonstrates the application of the basic recursive algorithms.作者: 召集 時(shí)間: 2025-3-29 19:27
Reduced variable molecular dynamicsing the resulting mathematical models. This paper explores the capabilities of recursive dynamics methods for reducing the computational effort required for studying complex molecular systems. A numerical example is presented that demonstrates the application of the basic recursive algorithms.作者: 漂白 時(shí)間: 2025-3-29 19:43 作者: BOLUS 時(shí)間: 2025-3-30 00:06 作者: 制定 時(shí)間: 2025-3-30 08:08 作者: 種類 時(shí)間: 2025-3-30 11:26 作者: 歡呼 時(shí)間: 2025-3-30 15:47
A separating framework for increasing the timestep in molecular dynamicsis obtained [1,2]. Typically, . integration algorithms are used: new positions and velocities for all atoms are computed in closed form through simple relations involving positions and velocities at previous steps. Standard explicit schemes are simple to formulate and fast to propagate, but they imp作者: 擺動(dòng) 時(shí)間: 2025-3-30 19:07 作者: 躺下殘殺 時(shí)間: 2025-3-31 00:04
Systematic procedure for the development of accurate QM/MM model Hamiltoniansmental chemical reactions that occur in living organisms. Understanding the mechanisms by which enzymes achieve their remarkable catalytic abilities has been a long-standing goal of biochemists, and significant progress has been made since 1878 when Fredrich Wilhelm Kühne first coined the word ‘enzy作者: SPER 時(shí)間: 2025-3-31 03:39
Modeling protonation equilibria in biomoleculesm the normal value, 7.4. It is very unlikely that the effects of abnormal pH result from the destructive chemical action of protons or hydroxide; if this were the case, a blood pH of 6.8, say, would not be dangerous. It is more likely that the sensitivity of organisms to pH results chiefly from the 作者: 設(shè)施 時(shí)間: 2025-3-31 06:53
Semi-explicit bag model for protein solvationolecules. It is well known that simulations (or free energy calculations) that neglect explicit water are not adequate, while the full inclusion of a large volume of water implies large, if not prohibitive, increases in computational resources [1–5].
