Results 211 to 220 of about 76,316 (279)

dmf-g16: A Gaussian Wrapper for Reliable Double-Ended Transition-State Searches With Native Input Formats. [PDF]

J Comput Chem
Koda SI, Saito S.
europepmc   +1 more source

RHINO: An Integrative Multi‐Omics Framework Linking Circadian Physiology to Precision Medicine

Advanced Science, EarlyView.
RHINO (RHythmic Interacting Network for multi‐Omics) is an integrative framework that maps circadian regulation across diverse genetic and disease contexts and prioritizes druggable circadian targets. Released as an AI‐powered interactive web portal, RHINO unifies genetic, regulatory, disease, and drug–target information, enabling context‐specific ...
Ying Chen, Chengxuan Chen, Dishu Zhou, Panpan Liu, Roberto E. López‐Valiente, Yuan Liu, Cam Mong La, Isabella Beraldo Xavier, Sean M. Hartig, Pradip Saha, Zheng Sun, Leng Han, Dongyin Guan   +12 more
wiley   +1 more source

<i>optimade-maker</i>: automated generation of interoperable materials APIs from static datasets.

Digit Discov
Eimre K, Evans ML, Macaulay B, Wang X, Yu J, Marzari N, Rignanese GM, Pizzi G.   +7 more
europepmc   +1 more source

TheorChem2Blender: an open-source tool to convert computational chemistry outputs into Blender-ready 3D objects. [PDF]

J Cheminform
Echeverri-Jimenez E.
europepmc   +1 more source

Mapping Steroidogenic Perturbations Under Endocrine Disruptor Mixtures Across Demographic Subgroups: Structural and Metabolomic Insights

Advanced Science, EarlyView.
Population‐scale EDC–hormone association mapping among 4255 participants across demographic subgroups identifies phthalate metabolites as the most consistent signals associated with lower testosterone‐related markers in males. Integrative mechanistic validation prioritizes MCPP as a key phthalate metabolite linked to CYP17A1‐centered disruption of ...
Yanling Chen, Lei Huang, Yingtong Jiang, Guohong Zhao, Mengyuan Zhu, Xiulian Lu, Lang Lang, Akinpelumi Oluwatobiloba Esther, Longhao Fan, Yuqi Jiang, Chang Sun, Xiaoling Zhang, Kun Zhou, Xiaoming Ji, Minjian Chen   +14 more
wiley   +1 more source

MDCompress: better, faster compression of molecular dynamics simulation trajectories. [PDF]

Bioinformatics
Kokot M, Roy A, Wheeler TJ, Deorowicz S.
europepmc   +1 more source

ANXA2+ Small Extracellular Vesicles Drive Chemoresistance in Anaplastic Thyroid Cancer by Promoting XRCC5 Lactylation and Enhancing Non‐Homologous End‐Joining Repair

Advanced Science, EarlyView.
ANXA2+ sEVs promote cisplatin resistance in ATC by stabilizing the SRC/LDHA interaction, increasing LDHA phosphorylation and activity, and lactate production. Elevated lactate levels promote KAT5‐mediated lactylation of XRCC5 at lysine 265, enhancing its binding to XRCC6.
Shanshan Su, YiShan Xiong, Yuxuan Liang, Xiang Min, Daofeng Dai   +4 more
wiley   +1 more source

FORWARD: Dataset of a forwarder operating in rough terrain. [PDF]

Data Brief
Lundbäck M, Wallin E, Häggström C, Nyström M, Grönlund A, Richardson M, Jönsson P, Arnvik W, Hedström L, Fälldin A, Servin M.   +10 more
europepmc   +1 more source

Data Notes: A New Article Type for Preserving and Sharing Biodiversity Data. [PDF]

Ecol Evol
Soares BE, Jenkins GB.
europepmc   +1 more source

Data Management and Analysis of Metal-Organic Framework Synthesis Using Data Models. [PDF]

J Chem Inf Model
Neubauer F, Endo K, Bender F, Ciftci E, Hansen N, Krause S, Uekermann B, Pleiss J.   +7 more
europepmc   +1 more source