標題: Titlebook: Rational Drug Design; Donald G. Truhlar,W. Jeffrey Howe,Richard A. Dammk Book 1999 Springer Science+Business Media New York 1999 algorithm [打印本頁] 作者: 母牛膽小鬼 時間: 2025-3-21 19:11
書目名稱Rational Drug Design影響因子(影響力)
書目名稱Rational Drug Design影響因子(影響力)學科排名
書目名稱Rational Drug Design網(wǎng)絡公開度
書目名稱Rational Drug Design網(wǎng)絡公開度學科排名
書目名稱Rational Drug Design被引頻次
書目名稱Rational Drug Design被引頻次學科排名
書目名稱Rational Drug Design年度引用
書目名稱Rational Drug Design年度引用學科排名
書目名稱Rational Drug Design讀者反饋
書目名稱Rational Drug Design讀者反饋學科排名
作者: 泛濫 時間: 2025-3-21 21:23 作者: 遍及 時間: 2025-3-22 00:24 作者: 全國性 時間: 2025-3-22 08:10 作者: 食物 時間: 2025-3-22 11:25 作者: inflate 時間: 2025-3-22 16:49
Modeling The Effect of Solvation on Structure, Reactivity, and Partitioning of Organic Solutes: Utilctrostatic components of solvation by microscopic surface tensions. The SM5.4 model, which is the most physical member of the SM. family, has been parameterized using two electronic Hamiltonians, AM1 and PM3. For both Hamiltonians, solvation parameters are obtained for water and for any organic solv作者: 改正 時間: 2025-3-22 20:17 作者: 易受騙 時間: 2025-3-23 00:38
A Preliminary Multiobjective Analysis of the Chemotherapeutic Benefits of Hairpin-Linked Polyamidesimidazole and .-methylpyrrole to five-and six-base-pair DNA sequences. We use the model to evaluate numerically several different conflicting design criteria, each characterizing the suitability of a polyamide as a chemotherapeutic agent, and we analyze the trade-offs existing between these criteria作者: atopic-rhinitis 時間: 2025-3-23 03:19 作者: 外科醫(yī)生 時間: 2025-3-23 05:57 作者: 樹木心 時間: 2025-3-23 09:50
Deducing Objective Site Models by Mixed Integer Programminguctures and measured binding affinities of a few small molecules. In particular, the X-ray crystal structure of the receptor is not known. The main difficulty is deciding how the different ligands are supposed to bind to the common site, especially when they differ substantially in chemical structur作者: 窒息 時間: 2025-3-23 16:33
Molecular Dynamics Information Extractionented as functions of time. These are easily obtained from a variety of sources, most commonly the output files of the simulation itself. However, the most critical structural parameters are not available directly from program output files, but require post processing. Typically, these parameters ar作者: myelography 時間: 2025-3-23 18:24 作者: 命令變成大炮 時間: 2025-3-24 00:38
Genetic Function Approximation: Evolutionary Construction of Novel, Interpretable, Nonlinear Models lysis with the GFA algorithm allows the construction of models competitive with, or superior to, standard techniques and makes available additional information not provided by other techniques. Unlike most other analysis algorithms, GFA provides the user with multiple models; the populations of mode作者: 有抱負者 時間: 2025-3-24 03:09
Applications of Distributed Computing to Conformational Searches the tasks concurrently on different computers. This is very different from the data-parallel computing that is currently performed on shared-memory, or single-image, multiple-processor architectures, and provides an opportunity to try new techniques for problems important to Molecular Modeling and 作者: synovitis 時間: 2025-3-24 10:01 作者: gorgeous 時間: 2025-3-24 11:25 作者: Influx 時間: 2025-3-24 17:36
Ionic Charging Free Energies Using Ewald Summation the problem of calculating ionic charging free energies. We review recent results that suggest Ewald summation gives appropriate values for this free energy, at least for the simple case of ion charging.作者: 陰謀小團體 時間: 2025-3-24 22:31 作者: Confess 時間: 2025-3-24 23:44
Molecular Similarityare urgently needed. This is especially so if we can ever hope to take thousands of molecules and calculate the similarity between all pairs..A promising technique is to use two-dimensional molecular representations and to utilise methodologies perfected in optical character recognition.作者: 啞巴 時間: 2025-3-25 04:16
Panel Discussion: Important Current Problems in Drug Design that may be Computationally Tractableanelists. Nonetheless, each of the issues presented by a panelist engendered considerable discussion among the workshop participants, and the issues discussed in the first panel session can be considered to be representative of problems currently under study by numerous scientists in the field.作者: 混沌 時間: 2025-3-25 09:47
0940-6573 on have proven successful in many recent research programs. These methods have grown in their effectiveness not only because of improved understanding of the basic science - the biological events and molecular interactions that define a target for therapeutic intervention - but also because of advan作者: 灌輸 時間: 2025-3-25 13:25
The IMA Volumes in Mathematics and its Applicationshttp://image.papertrans.cn/r/image/821424.jpg作者: 別炫耀 時間: 2025-3-25 16:05 作者: 不透明 時間: 2025-3-25 22:54 作者: galley 時間: 2025-3-26 02:52 作者: 淘氣 時間: 2025-3-26 05:42
Panel Discussion: New Problems that Should be Addressed in the Next Ten Yearsy, predictable improvement in computational power and perhaps less predictable improvement in algorithms and methods. What are the pressing problems and bottlenecks that may succumb to new computational and theoretical approaches?作者: 不規(guī)則的跳動 時間: 2025-3-26 09:28
Using Structural Information for the Creative Design of Moleculeses: the structures of known potent compounds and the structure of a target binding site. It is now possible to design compounds entirely using a . computer program [1], although it is more common for computer programs to be used to assist design by scientists. It is this latter process that will be discussed in this chapter.作者: 信任 時間: 2025-3-26 13:07 作者: 感情 時間: 2025-3-26 16:55 作者: Clinch 時間: 2025-3-26 23:05
Wynn L. Walker,David S. Goodsell,Richard E. Dickerson,Elliot M. Landaws Kohlendioxidgehalts der Erdatmosph?re und die erheblichen Umweltauswirkungen von Unf?llen mit Mineral?l zwingen zur Suche nach erneuerbaren Energietr?gern mit einem geschlossenen Kohlenstoffkreislauf und einer m?glichst geringen Belastung von Luft, Boden und Gew?ssern. Für die auch langfristig not作者: Ardent 時間: 2025-3-27 03:42 作者: 得罪 時間: 2025-3-27 06:26
Regine Bohacek,Colin Mcmartin,Peter Glunz,Daniel H. Richorr?ten und auf m?gliche sch?dliche Auswirkungen von Energie-Nutzung. Beides wurde, bedingt durch den raschen Anstieg des weltweiten Energiebedarfs, innerhalb nur weniger Jahrzehnte in jüngster Zeit zu ernsten Problemen für die künftige Entwicklung der Menschheit. Vor ?hnlichen Problemen stand die M作者: 辯論 時間: 2025-3-27 09:41
Gordon M. Crippenversorgung der Allgemeinheit. Bei der Organisation dieser Aufgabe hat sich in den letzten 20?Jahren in vielen europ?ischen Staaten ein Paradigmenwechsel vollzogen. Insbesondere bei den leitungsgebundenen Energietr?gern Strom und Gas erfolgte eine Liberalisierung der Energiem?rkte, die eine Abkehr vo作者: PLAYS 時間: 2025-3-27 15:02
Dennis Sprous,Weidong Wang,Ganesan Ravishanker,Matthew A. Young,David L. Beveridgerd. Wie wird der elektrische Strom gewonnen? Für die Bereitstellung von elektrischer Energie sind einige Umwege zu gehen, da die Energieformen nicht beliebig ineinander umwandelbar sind. So wird in einem Kohle- oder Gaskraftwerk aus der im Brennstoff gebundenen chemischen Energie über den Umweg der 作者: hegemony 時間: 2025-3-27 20:14
Tom Dardentuelle Diskussion der Zukunft unserer Energieversorgung.Natu.In dem vorliegenden Band wird naturwissenschaftlich-physikalische Hintergrundinformation zum Thema Energie bereitgestellt, um dem Leser objektive Bewertungskriterien für die global hochaktuelle Diskussion der Zukunft unserer Energieversorg作者: FIN 時間: 2025-3-28 01:17
David Rogerstuelle Diskussion der Zukunft unserer Energieversorgung.Natu.In dem vorliegenden Band wird naturwissenschaftlich-physikalische Hintergrundinformation zum Thema Energie bereitgestellt, um dem Leser objektive Bewertungskriterien für die global hochaktuelle Diskussion der Zukunft unserer Energieversorg作者: 健壯 時間: 2025-3-28 02:20
Dave Doherty,Bill Dunn,Graham Richards,Doug Rohrer,A. J. Hopfinger,W. J. Howe作者: 突襲 時間: 2025-3-28 09:45 作者: Habituate 時間: 2025-3-28 12:41 作者: pineal-gland 時間: 2025-3-28 14:41
Regine Bohacek,Colin Mcmartin,Peter Glunz,Daniel H. Richrovers, dies h?ufig mangels einer ausreichenden Kenntnis aller wesentlichen, zu be- rücksichtigenden Fakten. Diesen Mangel soll das vorliegende Buch zu mindern 978-3-519-03057-7978-3-322-92735-4Series ISSN 1615-3766 作者: 要控制 時間: 2025-3-28 20:38 作者: 永久 時間: 2025-3-29 02:14
Tom Dardention eines energetischen Erntefaktors miteinander verglichen. Die Speicher- und Transportm?glichkeiten und - hiermit eng verbunden - die Handlungsspielr?ume rationellen Umgangs mit den diversen Formen der Energ978-3-658-00500-9978-3-658-00501-6作者: 誤傳 時間: 2025-3-29 05:00
David Rogerstion eines energetischen Erntefaktors miteinander verglichen. Die Speicher- und Transportm?glichkeiten und - hiermit eng verbunden - die Handlungsspielr?ume rationellen Umgangs mit den diversen Formen der Energ978-3-658-00500-9978-3-658-00501-6作者: 刪除 時間: 2025-3-29 07:39 作者: Emg827 時間: 2025-3-29 12:27
Growmol, A De novo Computer Program, and its Application to Thermolysin and Pepsin: Results of the Drogram called GrowMol(2, 3), which generates organic structures that are both spatially and chemically complementary to the target binding site. By “growing ” molecules an atom at a time to fill the various nooks and crannies of a binding site, GrowMol can generate structures with exquisite compleme作者: Galactogogue 時間: 2025-3-29 18:30
Deducing Objective Site Models by Mixed Integer Programmingcule can fit has a calculated binding affinity that agrees with experiment. Thus each of the different binding modes of each molecule is some sort of constraint on the geometry and energetic features of the site model. Here we show how to unite the geometric and energetic constraints of the many dif作者: 絕食 時間: 2025-3-29 22:13
Molecular Dynamics Information Extractionom . and .. For DNA, its flagship program dials_and_windows_dna serves as a front end for passing coordinates to the. (Lavery and Sklenar, 1996) program. Complete helicoidal parameters are presented as time series. For proteins, a variety of torsional parameters will be analyzed and presented as gra作者: obnoxious 時間: 2025-3-30 02:00 作者: FLAG 時間: 2025-3-30 06:21
Applications of Distributed Computing to Conformational Searchesom all low-energy conformations of molecules that are inactive. If such an arrangement is found, this putative pharmacophore can be used to test other compounds of unknown activity. The second application of distributed computing is to find the lowest-energy conformation (e.g. the global minimum) fo作者: 諷刺滑稽戲劇 時間: 2025-3-30 08:15 作者: 碎片 時間: 2025-3-30 15:02
Candee C. Chambers,David J. Giesen,Gregory D. Hawkins,Christopher J. Cramer,Donald G. Truhlar,Wouter? sich im Dezember 1993 ein dreij?hriger Praxistest an, bei dem die Brennstoffzelle einen Teil der W?rmeversorgung eines ?ffentlichen Hallenbades übernahm. Die Ergebnisse der Untersuchungen und Erfahrungen aus über 16.000 Betriebsstunden k?nnen durchweg als positiv bezeichnet werden.作者: 外來 時間: 2025-3-30 20:37 作者: amygdala 時間: 2025-3-30 22:22 作者: 楓樹 時間: 2025-3-31 04:10
Colin McMartin,Regine S. Bohacek Einführung der Nutzung von Kohle. L?sungsm?glichkeiten der heutigen Energieprobleme werden zwar vielf?ltig diskutiert, leider oft sehr kontrovers, dies h?ufig mangels einer ausreichenden Kenntnis aller wesentlichen, zu be- rücksichtigenden Fakten. Diesen Mangel soll das vorliegende Buch zu mindern 作者: VICT 時間: 2025-3-31 08:47
