標(biāo)題: Titlebook: Computational Methods for GPCR Drug Discovery; Alexander Heifetz Book 2018 Springer Science+Business Media LLC 2018 G protein-coupled rece [打印本頁] 作者: Osteopenia 時(shí)間: 2025-3-21 16:11
書目名稱Computational Methods for GPCR Drug Discovery影響因子(影響力)
書目名稱Computational Methods for GPCR Drug Discovery影響因子(影響力)學(xué)科排名
書目名稱Computational Methods for GPCR Drug Discovery網(wǎng)絡(luò)公開度
書目名稱Computational Methods for GPCR Drug Discovery網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Computational Methods for GPCR Drug Discovery被引頻次
書目名稱Computational Methods for GPCR Drug Discovery被引頻次學(xué)科排名
書目名稱Computational Methods for GPCR Drug Discovery年度引用
書目名稱Computational Methods for GPCR Drug Discovery年度引用學(xué)科排名
書目名稱Computational Methods for GPCR Drug Discovery讀者反饋
書目名稱Computational Methods for GPCR Drug Discovery讀者反饋學(xué)科排名
作者: concubine 時(shí)間: 2025-3-22 00:17
Benjamin Nienass,Alexandra Délano application of the same computational protocols to investigate this diverse group of receptor families gives an idea of the general applicability of our methodology in the characterization of GPCR-ligand binding.作者: chandel 時(shí)間: 2025-3-22 00:26 作者: lactic 時(shí)間: 2025-3-22 05:56 作者: harrow 時(shí)間: 2025-3-22 09:42 作者: CLAMP 時(shí)間: 2025-3-22 16:57 作者: CLAMP 時(shí)間: 2025-3-22 17:25
Current and Future Challenges in GPCR Drug Discovery,nderstanding of these proteins as well as to drive drug discovery. Such drug discovery activities range from the design of orthosteric site inhibitors through, for example, allosteric modulators, biased ligands, partial agonists and bitopic ligands. Herein, these topics are outlined through specific作者: ablate 時(shí)間: 2025-3-22 23:45 作者: 無能的人 時(shí)間: 2025-3-23 01:25 作者: Crater 時(shí)間: 2025-3-23 07:31
Molecular Basis of Ligand Dissociation from G Protein-Coupled Receptors and Predicting Residence Ti we review what is currently known about the dynamics of GPCRs in the context of ligand association and dissociation, as determined through both crystallography and computer simulations. We particularly focus on the molecular basis of ligand dissociation from GPCRs and provide case studies that pred作者: Deference 時(shí)間: 2025-3-23 11:16
Challenges and Opportunities in Drug Discovery of Biased Ligands,ionality reduction, Markov State Models and adaptive sampling. Then, we show how to seek for compounds that target distinct conformational states via docking and virtual screening. In addition, we describe how to detect receptor-ligand interactions that drive signaling bias and comment current chall作者: 不透氣 時(shí)間: 2025-3-23 14:57
Synergistic Use of GPCR Modeling and SDM Experiments to Understand Ligand Binding,by combining them synergistically with historic SDM ligand binding data. Here, we describe a protocol by which historic SDM binding data and receptor models may be used together to identify novel key residues for mutagenesis studies.作者: 誓言 時(shí)間: 2025-3-23 21:23 作者: Concerto 時(shí)間: 2025-3-24 00:35 作者: Definitive 時(shí)間: 2025-3-24 04:41 作者: 是限制 時(shí)間: 2025-3-24 10:29 作者: 激怒 時(shí)間: 2025-3-24 12:04
Methods in Molecular Biologyhttp://image.papertrans.cn/c/image/232721.jpg作者: Tincture 時(shí)間: 2025-3-24 17:17 作者: 領(lǐng)袖氣質(zhì) 時(shí)間: 2025-3-24 19:29 作者: grovel 時(shí)間: 2025-3-25 01:04
Otger Autrata,Bringfriede Scheuation data. The steps required to prepare a database of molecules for successful use with ROCS and EON are described and selected examples of their application in prospective lead discovery experiments are summarized.作者: 蔑視 時(shí)間: 2025-3-25 03:49 作者: 先行 時(shí)間: 2025-3-25 10:07 作者: 一小塊 時(shí)間: 2025-3-25 14:37
Andreas Oberprantacher,Andrei Siclodiagonist and antagonist ligands. We illustrate here how this applies to A. adenosine receptors (ARs) and to P2Y. and P2Y. receptors (P2YRs) for ADP. These X-ray structures have impacted the medicinal chemistry aimed at discovering new ligands for these two receptor families, including receptors that 作者: Complement 時(shí)間: 2025-3-25 18:24
Multinomial Multiplication and Division,oactivity, and mutation data, has enabled the development of integrated chemogenomics workflows for this important target family. This chapter will focus on cross-family and cross-class studies of GPCRs that have pinpointed the need for, and the implementation of, a generic numbering scheme for refe作者: Daily-Value 時(shí)間: 2025-3-25 20:38
https://doi.org/10.1007/978-3-319-42337-1 can be employed for GPCR-ligand optimization and have been reported as invaluable tools for drug design in the last few years. Elucidation of the complex GPCR pharmacology and the associated GPCR conformations made clear that different homology models have to be constructed for different activation作者: 機(jī)密 時(shí)間: 2025-3-26 02:37
The Japanese Diagnostic Rhyme Test,nt class of drug targets function at the molecular level. However, it has also become apparent that they are very dynamic molecules, and moreover, that the underlying dynamics is crucial in shaping the response to different ligands. Molecular dynamics simulations can provide unique insight into the 作者: 表被動 時(shí)間: 2025-3-26 07:30
Signals and Communication Technologytatic Maps and pharmacophore screening using Hückel Theory. Contact Preferences is a statistical technique to predict hydrophobic and hydrophilic geometry in receptor active sites. Electrostatic Maps use the Poisson-Boltzmann Equation to model solvation effects and are particularly useful for predic作者: 消瘦 時(shí)間: 2025-3-26 08:47
Manfred Diehl,Amit Shrira,Yuval Palgi. It is essential for an efficient structure-based drug design (SBDD) process. FMO enables ab initio approaches to be applied to systems that conventional quantum-mechanical (QM) methods would find challenging. The key advantage of the Fragment Molecular Orbital Method (FMO) is that it can reveal at作者: Vertical 時(shí)間: 2025-3-26 13:40
Dikla Segel-Karpas,Yoav S. Bergmann structural biology has enabled the crystallographic elucidation of the architecture of these important macromolecules. It also provided atomic-level visualization of ligand-receptor interactions, dramatically boosting the impact of structure-based approaches in drug discovery. However, knowledge o作者: Obstacle 時(shí)間: 2025-3-26 20:42 作者: DOSE 時(shí)間: 2025-3-26 22:22 作者: 欄桿 時(shí)間: 2025-3-27 02:30 作者: comely 時(shí)間: 2025-3-27 05:20 作者: 定點(diǎn) 時(shí)間: 2025-3-27 13:03 作者: 植物茂盛 時(shí)間: 2025-3-27 13:44 作者: 向前變橢圓 時(shí)間: 2025-3-27 21:25 作者: scrutiny 時(shí)間: 2025-3-27 23:31
Otger Autrata,Bringfriede Scheuation data. The steps required to prepare a database of molecules for successful use with ROCS and EON are described and selected examples of their application in prospective lead discovery experiments are summarized.作者: 頌揚(yáng)國家 時(shí)間: 2025-3-28 02:12 作者: 本能 時(shí)間: 2025-3-28 10:06
Susanne Wurm,Anne Blawert,Sarah K. Sch?ferThe following chapter examines some of the current “state-of-the-art” tools for predicting, scoring, and examining explicit water molecules in proteins and protein/ligand complexes, highlighting some of the ways information can be readily examined in a manner that is useful in a drug discovery process.作者: 安慰 時(shí)間: 2025-3-28 11:42 作者: 被告 時(shí)間: 2025-3-28 18:11
Current and Future Challenges in GPCR Drug Discovery,cture of rhodopsin, and dramatically accelerating since the reporting of the first ligand-mediated GPCR X-ray structures, our understanding of the structural and functional characteristics of these proteins has grown dramatically. Deploying this now rapidly emerging information for drug discovery ha作者: FLINT 時(shí)間: 2025-3-28 18:50
Characterization of Ligand Binding to GPCRs Through Computational Methods,t, computational approaches in combination with medicinal chemistry and pharmacology are extremely helpful. Here, we provide an update on our structure-based computational protocols, used to answer key questions related to GPCR-ligand binding. All combined, these techniques can shed light on ligand 作者: 尖叫 時(shí)間: 2025-3-29 02:41 作者: 摸索 時(shí)間: 2025-3-29 03:59 作者: 新義 時(shí)間: 2025-3-29 08:53
GPCR Homology Model Generation for Lead Optimization, can be employed for GPCR-ligand optimization and have been reported as invaluable tools for drug design in the last few years. Elucidation of the complex GPCR pharmacology and the associated GPCR conformations made clear that different homology models have to be constructed for different activation作者: 并置 時(shí)間: 2025-3-29 14:43
GPCRs: What Can We Learn from Molecular Dynamics Simulations?,nt class of drug targets function at the molecular level. However, it has also become apparent that they are very dynamic molecules, and moreover, that the underlying dynamics is crucial in shaping the response to different ligands. Molecular dynamics simulations can provide unique insight into the 作者: 詩集 時(shí)間: 2025-3-29 16:55 作者: 未開化 時(shí)間: 2025-3-29 23:39
Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method,. It is essential for an efficient structure-based drug design (SBDD) process. FMO enables ab initio approaches to be applied to systems that conventional quantum-mechanical (QM) methods would find challenging. The key advantage of the Fragment Molecular Orbital Method (FMO) is that it can reveal at作者: Anticoagulants 時(shí)間: 2025-3-30 00:35
Molecular Basis of Ligand Dissociation from G Protein-Coupled Receptors and Predicting Residence Tin structural biology has enabled the crystallographic elucidation of the architecture of these important macromolecules. It also provided atomic-level visualization of ligand-receptor interactions, dramatically boosting the impact of structure-based approaches in drug discovery. However, knowledge o作者: 合群 時(shí)間: 2025-3-30 04:53 作者: fleeting 時(shí)間: 2025-3-30 08:58 作者: IST 時(shí)間: 2025-3-30 14:27 作者: Ringworm 時(shí)間: 2025-3-30 20:14 作者: 愛了嗎 時(shí)間: 2025-3-30 23:16
Synergistic Use of GPCR Modeling and SDM Experiments to Understand Ligand Binding,. This information was generated prior to the wave of GPCR crystal structure, in an effort to understand ligand binding with a view to drug discovery. Concerted efforts to determine the atomic structure of GPCRs have proven extremely successful and there are now more than 80 GPCR crystal structure i作者: 褲子 時(shí)間: 2025-3-31 03:50 作者: 總 時(shí)間: 2025-3-31 06:18
Investigating Small-Molecule Ligand Binding to G Protein-Coupled Receptors with Biased or Unbiased es interact with their receptors. These high-resolution structures represent a tremendous opportunity to apply molecular dynamics (MD) simulations to capture atomic-level dynamical information that is not easy to obtain experimentally. Understanding ligand binding and unbinding processes, as well as作者: BOOM 時(shí)間: 2025-3-31 12:45
Ligand-Based Methods in GPCR Computer-Aided Drug Design,ation data. The steps required to prepare a database of molecules for successful use with ROCS and EON are described and selected examples of their application in prospective lead discovery experiments are summarized.作者: 露天歷史劇 時(shí)間: 2025-3-31 13:45 作者: echnic 時(shí)間: 2025-3-31 18:59 作者: 植物茂盛 時(shí)間: 2025-4-1 01:12 作者: 慢慢沖刷 時(shí)間: 2025-4-1 03:17 作者: 深陷 時(shí)間: 2025-4-1 09:00
https://doi.org/10.1007/978-3-319-42337-1 of the putative ligand binding site from the generic retinal binding pocket to the whole receptor. In the present study, a workflow is presented starting from the selection of the target sequence, guiding through the GPCR modeling process, and finishing with ligand placement and pose validation.作者: 不自然 時(shí)間: 2025-4-1 12:13 作者: Aromatic 時(shí)間: 2025-4-1 15:30
Dave Webb,Eduardo Wills-Herrerachallenging task, and need to be taken into consideration throughout the design process. In this chapter, we focus on nuances of targeting GPCR allosteric sites in computational drug design efforts, in particular with application of docking, virtual screening, and molecular dynamics.作者: atopic-rhinitis 時(shí)間: 2025-4-1 20:25 作者: NICE 時(shí)間: 2025-4-2 01:19
GPCR Homology Model Generation for Lead Optimization, of the putative ligand binding site from the generic retinal binding pocket to the whole receptor. In the present study, a workflow is presented starting from the selection of the target sequence, guiding through the GPCR modeling process, and finishing with ligand placement and pose validation.
