过去一年中添加的文章，按日期排序
Antibody-SGM, a Score-Based Generative Model for Antibody Heavy-Chain Design
X Xie, PA Valiente, JS Lee, J Kim… - Journal of Chemical …, 2024 - ACS Publications
9 天前 - … antibody heavy chains by refining the generation to … simultaneous sequence and
structure optimization. These improvements demonstrate the promise of our strategy for protein …
structure optimization. These improvements demonstrate the promise of our strategy for protein …
Phylogenetic analysis of Centralspindlin and Ect2 provides mechanistic insights into the emergence of Metazoa and multicellularity
M Glotzer - bioRxiv, 2024 - biorxiv.org
19 天前 - … specifying each protein was present in two copies [46]. Predictions were refined
by trimming the predicted unstructured termini. If the regions of the proteins were scored with …
by trimming the predicted unstructured termini. If the regions of the proteins were scored with …
The dimer effect: A refinement approach towards skin sensitization assessment in‐chemico using Amino acid Derivative Reactivity Assay
R Paul Choudhury, A Singh, E Mathai… - Journal of Applied …, 2024 - Wiley Online Library
33 天前 - … and structural confirmation of the dimer of N-(2-[1-naphthyl]acetyl)-L-cysteine (NAC)
from the ADRA assay to allow simultaneous … Thus, this simultaneous assay gives a more …
from the ADRA assay to allow simultaneous … Thus, this simultaneous assay gives a more …
Unleashing the Power of Evolution in Xylanase Engineering: Investigating the Role of Distal Mutation Regulation
Y Wu, Y Yang, G Lu, WL Xiang, TY Sun… - Journal of Agricultural …, 2024 - ACS Publications
36 天前 - … Notably, mutations in this region simultaneously boosted … by various structural
regions of proteins and expands our … Initial structures were optimally refined using Amber 22 …
regions of proteins and expands our … Initial structures were optimally refined using Amber 22 …
Refinement of Docked Protein-Protein Complexes Using Repulsive Scaling Replica Exchange Simulations
T Siebenmorgen, Y Saremi Nanji… - Protein-Protein Docking …, 2024 - Springer
57 天前 - … -based scheme to simultaneously refine and score protein-protein complexes [13]. …
structures. However, it offers a route for refinement and a realistic ranking of predicted protein…
structures. However, it offers a route for refinement and a realistic ranking of predicted protein…
Extraction of Protein-Enriched Fractions from Sunflower and Hemp Seeds: Composition and Colloidal Stability of Less Refined Fractions as a Function of Initial Ph
SB Alpiger, SB Gregersen, AM Ellermann… - Available at SSRN … - papers.ssrn.com
89 天前 - … Simultaneous extraction of oil and protein from oilseeds using aqueous extraction
combined with wet 18 milling yields protein concentrates with less refined compositions. This …
combined with wet 18 milling yields protein concentrates with less refined compositions. This …
Achievement of waste sludge deep dehydration under acidic conditions with polydimethyldiallylammonium chloride and ferric chloride: performance and mechanism
YT Lv, K Wang, J Liu, X Wang, L Li, J Qiu, L Wang - RSC advances, 2024 - pubs.rsc.org
120 天前 - … , simultaneously disrupting the floc structure and refining the sludge. Subsequently,
FeCl 3 reconstructs these elements, forming larger particle sizes. Finally, hydrochloric acid …
FeCl 3 reconstructs these elements, forming larger particle sizes. Finally, hydrochloric acid …
RING 4.0: faster residue interaction networks with novel interaction types across over 35,000 different chemical structures
A Del Conte, GF Camagni, D Clementel… - Nucleic Acids …, 2024 - academic.oup.com
128 天前 - … all types of interactions simultaneously in the structure viewer and … refined. RING
4.0 can now provide comprehensive interaction networks for various combinations of proteins, …
4.0 can now provide comprehensive interaction networks for various combinations of proteins, …
ART-SM: Boosting Fragment-based Backmapping by Machine Learning
C Pfaendner, V Korn, P Gogoi, B Unger, K Pluhackova - 2024 - chemrxiv.org
132 天前 - … conformations per fragment to simultaneously reflect the coarse-grained structure
and the Boltzmann distribution. Additionally, we introduce a novel refinement step to connect …
and the Boltzmann distribution. Additionally, we introduce a novel refinement step to connect …
Molecular simulations to investigate the impact of N6-methylation in RNA recognition: Improving accuracy and precision of binding free energy prediction
V Piomponi, M Krepl, J Sponer, G Bussi - arXiv preprint arXiv:2404.14821, 2024 - arxiv.org
135 天前 - … calculations, we refine the m6A partial charges parameters, thereby enabling the
simultaneous reproduction of N6 methylation on both the protein binding free energy and the …
simultaneous reproduction of N6 methylation on both the protein binding free energy and the …