作者: Abrupt 時(shí)間: 2025-3-21 21:51 作者: emission 時(shí)間: 2025-3-22 04:28 作者: 難管 時(shí)間: 2025-3-22 07:36 作者: PLIC 時(shí)間: 2025-3-22 12:07
Probing Conformational Dynamics of Antibodies with Geometric Simulationsmetric simulations method FRODAN, which is a low computational complexity alternative to molecular dynamics (MD) simulations that can rapidly explore flexible motions in protein structures. FRODAN is highly suited for conformational dynamics analysis of large proteins, complexes, intrinsically disor作者: Notify 時(shí)間: 2025-3-22 15:12
PITHA: A Webtool to Predict Immunogenicity for Humanized and Fully Human Therapeutic Antibodiesic antibodies and their antibodies, one can see that anti-idiotypic antibodies usually bind the complementarity-determining regions (CDR) of idiotypic antibodies. Sequence and structural features, such as cavity volume at the CDR region and hydrophobicity of CDR-H3 loop region, were identified for d作者: Notify 時(shí)間: 2025-3-22 19:37 作者: 諄諄教誨 時(shí)間: 2025-3-22 21:33 作者: BINGE 時(shí)間: 2025-3-23 03:23
In Silico Prediction Method for Protein Asparagine Deamidationm on structural level with machine learning. Our structure-based method is more accurate than the sequence-based method which is still widely used in protein engineering process. In addition, molecular dynamics simulation was applied to study the time occupancy of nucleophilic attack distance, which作者: 忙碌 時(shí)間: 2025-3-23 08:30
Structure-Based Optimization of Antibody-Based Biotherapeutics for Improved Developability: A Practibiotherapeutic drug development. Predictive computational strategies, used in the early stages of antibody discovery and development, to mitigate the risk of late-stage failure of antibody candidates, are highly valuable. Various structure-based methods exist for accurately predicting properties cri作者: exquisite 時(shí)間: 2025-3-23 12:39
B-Cell Epitope Predictions Using Computational Methodscal applications, such as new immunodiagnostic reagent discovery, vaccine design, and antibody design. However, due to the countless possibilities of potential epitopes, the experimental search through trial and error would be too costly and time-consuming to be practical. To facilitate this process作者: 壓迫 時(shí)間: 2025-3-23 16:55 作者: 警告 時(shí)間: 2025-3-23 18:13
Information-Driven Antibody–Antigen Modelling with HADDOCKs used to study and characterize them. Effective design and engineering of antibodies for therapeutic purposes are heavily dependent on knowledge of the structural principles that regulate antibody–antigen interactions. Several experimental techniques such as X-ray crystallography, cryo-electron mic作者: Heterodoxy 時(shí)間: 2025-3-24 00:51 作者: 確定無疑 時(shí)間: 2025-3-24 06:18 作者: Wernickes-area 時(shí)間: 2025-3-24 07:06 作者: Desert 時(shí)間: 2025-3-24 12:53
Sophie Jacquot,Clémence Ledoux,Bruno Palierarie-Paule Lefranc (Université de Montpellier and CNRS) to manage the huge diversity of the antigen receptors, immunoglobulins (IG) or antibodies, and T cell receptors (TR) of the adaptive immune responses. The founding of IMGT. marked the advent of immunoinformatics, which emerged at the interface 作者: Cupidity 時(shí)間: 2025-3-24 16:52 作者: 燈絲 時(shí)間: 2025-3-24 23:01 作者: resilience 時(shí)間: 2025-3-25 01:34
,Trade Unions and Employers’ Associations,tructural change as well as interaction energy. To characterize the protein structure effectively, the internal angular coordinates are often useful. Directional analysis provides the averages and variances of those coordinates in a mathematically rigorous way. Here, we describe not only a standard 作者: Aesthete 時(shí)間: 2025-3-25 06:18 作者: 同義聯(lián)想法 時(shí)間: 2025-3-25 07:57 作者: Instrumental 時(shí)間: 2025-3-25 13:11
https://doi.org/10.1057/9780230233850s. This method measures the .-value, the fraction of the native contacts, along the trajectory of high-temperature MD simulations starting from the experimental X-ray structure. We show a good correlation between the .-value and the experimental melting temperature (.) in seven sdAbs. Assessing the 作者: coltish 時(shí)間: 2025-3-25 18:01 作者: Colonnade 時(shí)間: 2025-3-25 22:11 作者: yohimbine 時(shí)間: 2025-3-26 02:37 作者: choroid 時(shí)間: 2025-3-26 07:06 作者: 袋鼠 時(shí)間: 2025-3-26 08:37
Anna Kicinger,Agnieszka Weinar,Agata Górnydies. A fundamental prerequisite is the identification of antigenic regions that are most prone to interact with antibodies, namely, B-cell epitopes. Here, we describe an efficient structure-based computational method for epitope prediction, called MLCE. In this approach, all that is required is the作者: 漂白 時(shí)間: 2025-3-26 14:52
Anna Kicinger,Agnieszka Weinar,Agata Górnys used to study and characterize them. Effective design and engineering of antibodies for therapeutic purposes are heavily dependent on knowledge of the structural principles that regulate antibody–antigen interactions. Several experimental techniques such as X-ray crystallography, cryo-electron mic作者: 狂怒 時(shí)間: 2025-3-26 17:31
Anna Kicinger,Agnieszka Weinar,Agata Górnyhow to use such data to understand adaptive immune responses to disease. Infectious disease is of particular interest because the antigens driving such responses are often known to some extent. Here, we describe tips for gathering data and cleaning it for use in downstream analysis. We present a met作者: 評論者 時(shí)間: 2025-3-27 00:09
Computer-Aided Antibody Design978-1-0716-2609-2Series ISSN 1064-3745 Series E-ISSN 1940-6029 作者: 展覽 時(shí)間: 2025-3-27 01:56
https://doi.org/10.1007/978-3-030-47223-8Complex and coordinated dynamics are closely connected with protein functions, including the binding of antibodies to antigens. Knowledge of such dynamics could improve the design of antibodies. Molecular dynamics (MD) simulations provide a “computational microscope” that can resolve atomic motions and inform antibody design efforts.作者: 無辜 時(shí)間: 2025-3-27 06:02 作者: cardiopulmonary 時(shí)間: 2025-3-27 10:20
https://doi.org/10.1007/978-1-0716-2609-2Antibodies; Drug discovery; Computational methods; Protein engineering; Biotechnology作者: 抵押貸款 時(shí)間: 2025-3-27 16:54 作者: DEMN 時(shí)間: 2025-3-27 20:13
,Trade Unions and Employers’ Associations,MD simulation procedure for the antigen–antibody system but also an umbrella sampling method following a multistep targeted MD simulation (US/mTMD), which is useful for evaluating the free energy profile along the antigen–antibody dissociation coordinate.作者: ELATE 時(shí)間: 2025-3-28 00:26 作者: 情節(jié)劇 時(shí)間: 2025-3-28 05:19
Book 2023 structures,? modeling antibody structures and dynamics, prediction and optimization of biological and biophysical properties of antibodies, prediction of antibody-antigen interactions, and computer-aided antibody affinity maturation and beyond. Written in the format of the highly successful?.Method作者: fulmination 時(shí)間: 2025-3-28 08:40
1064-3745 ation advice from the experts.This volume details state-of-the- art methods on computer-aided antibody design. Chapters guide readers through information on antibody sequences and structures,? modeling antibody structures and dynamics, prediction and optimization of biological and biophysical proper作者: Decimate 時(shí)間: 2025-3-28 13:37
Anna Kicinger,Agnieszka Weinar,Agata GórnyHere, we describe an efficient structure-based computational method for epitope prediction, called MLCE. In this approach, all that is required is the 3D structure of the antigen of interest. MLCE can be applied to glycosylated proteins, facilitating the identification of immunoreactive versus immune-shielding carbohydrates.作者: AGATE 時(shí)間: 2025-3-28 16:06 作者: 不妥協(xié) 時(shí)間: 2025-3-28 19:59 作者: 疏遠(yuǎn)天際 時(shí)間: 2025-3-29 00:36
Assessing and Engineering Antibody Stability Using Experimental and Computational Methods molecules with the desired conformational and colloidal stability. This chapter introduces our methods to computationally characterize an antibody Fab fragment, propose stabilizing variants, and then experimentally verify these predictions.作者: A簡潔的 時(shí)間: 2025-3-29 05:47 作者: scrutiny 時(shí)間: 2025-3-29 10:58 作者: unstable-angina 時(shí)間: 2025-3-29 12:35 作者: Ambiguous 時(shí)間: 2025-3-29 18:25 作者: 挑剔為人 時(shí)間: 2025-3-29 21:56
Thermal Stability Estimation of Single Domain Antibodies Using Molecular Dynamics Simulations to improve the stability and have later been validated by experiments. Our protocol extends beyond the application on sdAbs, as it is also suitable for other proteins and to determine the interfacial stability between protein and ligand.作者: adumbrate 時(shí)間: 2025-3-30 02:49 作者: 空中 時(shí)間: 2025-3-30 05:38
Structure-Based Optimization of Antibody-Based Biotherapeutics for Improved Developability: A Practif candidates arising from target affinity screening and to optimize lead candidates for developability. Methods for modeling antibody structures from sequence and detecting post-translational modifications and chemical degradation liabilities are also discussed.作者: FATAL 時(shí)間: 2025-3-30 10:29 作者: Redundant 時(shí)間: 2025-3-30 14:09 作者: 固定某物 時(shí)間: 2025-3-30 17:32
PITHA: A Webtool to Predict Immunogenicity for Humanized and Fully Human Therapeutic Antibodies for 29 therapeutic antibodies with available crystal structures. The web server of this method is accessible at . or .. This method, as a step of computer-aided antibody design, helps evaluate the safety of new therapeutic antibody, which can save time and money during the therapeutic antibody development.作者: FAWN 時(shí)間: 2025-3-30 21:01 作者: 我不怕犧牲 時(shí)間: 2025-3-31 02:34
Sophie Jacquot,Clémence Ledoux,Bruno Palierbering and IMGT Colliers de Perles). IMGT. comprises seven databases (IMGT/LIGM-DB for nucleotide sequences, IMGT/GENE-DB for genes and alleles, etc.), 17 tools (IMGT/V-QUEST, IMGT/JunctionAnalysis, IMGT/HighV-QUEST for NGS, etc.), and more than 20,000 Web resources. In this chapter, the focus is on
