Results 161 to 170 of about 27,611 (242)

On the Role of Hydrogen Bond Strength and Charge Transfer in an On‐Water Diels–Alder Reaction: Semiempirical and Free Energy Calculations

Journal of Computational Chemistry, Volume 47, Issue 20, July 30, 2026.
Matched Diels‐Alder dienophiles at a water interface reveal that on‐water catalysis depends on hydrogen‐bond quality rather than hydrogen‐bond count. Oxygen preserves charge‐transfer coupling and lowers the free‐energy barrier, whereas sulfur disrupts this coupling and promotes an asynchronous pathway.
Andrés Henao, Yomna Gohar, René Wilhelm, Thomas D. Kühne   +3 more
wiley   +1 more source

Hybrid deep learning and optimized variational mode decomposition for point-interval runoff prediction. [PDF]

PLoS One
Ma H, Fadhil Marsani M, Mansor MA, Mohd Kasihmuddin MS.   +3 more
europepmc   +1 more source

Reconsidering Molecular Docking Practices in Aptamer Research

ChemBioChem, Volume 27, Issue 14, 29 July 2026.
Benchmarking against the theophylline aptamer crystal structure shows that current docking workflows generate incorrect structures and fail to predict binding specificity, underscoring the need for caution when interpreting docking results in aptamer research. Molecular docking is increasingly used to infer aptamer–target interactions, yet most studies
Yachen Xie, Juewen Liu
wiley   +1 more source

Research on short-term prediction method of photovoltaic power based on HPO-VMD-BiLSTM. [PDF]

Sci Rep
Li J, Li L, Du Q, Li Y.
europepmc   +1 more source

1‐Aryl‐6,7‐Dimethoxy‐3,4‐Dihydroisoquinoline‐2(1H)‐Sulfonamides as hCA XII Selective Inhibitors: Experimental and Theoretical Studies to Interrogate the Isoform Selectivity

ChemMedChem, Volume 21, Issue 14, 29 July 2026.
Experimental and theoretical studies have disclosed the more relevant structural requirements for effective inhibition and an impressing selectivity toward tumor‐expressed hCA XII isoform over hCA II. Human carbonic anhydrase XII (hCA XII) represents an important pharmacological target for different types of cancer.
Federico Ricci, Anna Di Fiore, Andrea Angeli, Laura De Luca, Francesca Mancuso, Davide Esposito, Giuseppina De Simone, Claudiu T. Supuran, Rosaria Gitto   +8 more
wiley   +1 more source

Temporal forecasting of electric vehicle charging load using an IVY-VMD-TCN-BiLSTM model with cross-zone evaluation. [PDF]

Sci Rep
Zhang W, Ma B, Wang D.
europepmc   +1 more source

Direct oral anticoagulants and warfarin in atrial fibrillation patients with cancer by anticoagulation quality

Cancer, Volume 132, Issue 14, 15 July 2026.
Patients with atrial fibrillation (AF) and cancer treated with direct oral anticoagulants (DOACs) had a lower risk of all‐cause mortality, cardiovascular events (CVEs), but not bleeding events, compared to patients treated with vitamin K antagonists (VKAs) with low anticoagulation quality.
Danilo Menichelli, Vito Maria Daniele Cormaci, Gianluca Gazzaniga, Irma Bisceglia, Massimiliano Camilli, Daniela Poli, Emilia Antonucci, Roberto Pola, Paolo Santini, Pasquale Pignatelli, Daniele Pastori, on behalf of the START2 Registry Investigators   +11 more
wiley   +1 more source

Oracle Upper Bounds on Clean-EEG Recoverability from Single-Channel Decompositions Under EOG/EMG Contamination. [PDF]

Sensors (Basel)
Shaikh UQ, Kalra AM, Lowe A, Niazi IK.
europepmc   +1 more source

Metal–Drug Complexes as Long‐Release Application for Antimalarial PfFNT‐Inhibitors

ChemMedChem, Volume 21, Issue 13, 14 July 2026.
P. falciparum formate‐nitrite transporter (PfFNT) inhibitors have emerged as a novel antimalarial class with potent in vivo and liver‐stage activity. Low‐solubility metal–inhibitor complexes were prepared as potential long‐acting injectables.
Finn Tiedjens, Björn Henke, Ulrich Girreser, Regina Scherließ, Eric Beitz   +4 more
wiley   +1 more source

Towards the Development of a Deep Learning Framework Using Adaptive and Non-Adaptive Time-Frequency Features for EEG-Based Depression Therapy Prediction. [PDF]

Brain Sci
Akbari H, Bagherzadeh S, Sedehi JF, Nawaz R, Rostami R, Kazemi R, Muhammad S, Chen H, Mete M.   +8 more
europepmc   +1 more source