Quantum Chemistry
3,656 papers from PubMed
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 2689-2700 of 3,656
Molecular dynamics insights for PI3K-δ inhibition & structure guided identification of novel PI3K-δ inhibitors.
Srivastava S, Singh Choudhary B, Mehta P, Sukanya, Sharma M, Malik R
Molecular Mechanisms of Nitric Oxide in Cancer Progression, Signal Transduction, and Metabolism.
Somasundaram V, Basudhar D, Bharadwaj G, No JH, Ridnour LA, Cheng RYS, Fujita M, Thomas DD, Anderson SK, McVicar DW, Wink DA
Molecular simulation of the structure of folate and antifolates at physiological conditions.
Petrova J, Gocheva G, Ivanova N, Iliev S, Atanasova B, Madjarova G, Ivanova A
Paramagnetic NMR in solution and the solid state.
Pell AJ, Pintacuda G, Grey CP
Persulfate activation with rice husk-based magnetic biochar for degrading PAEs in marine sediments.
Dong CD, Chen CW, Hung CM
Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
Hu Y, Zhou L, Zhu X, Dai D, Bao Y, Qiu Y
Quantitative structure-activity relationship models for predicting reaction rate constants of organic contaminants with hydrated electrons and their mechanistic pathways.
Li C, Zheng S, Li T, Chen J, Zhou J, Su L, Zhang YN, Crittenden JC, Zhu S, Zhao Y
Radiocesium interaction with clay minerals: Theory and simulation advances Post-Fukushima.
Okumura M, Kerisit S, Bourg IC, Lammers LN, Ikeda T, Sassi M, Rosso KM, Machida M
Recent Advances in Conjugated TADF Polymer Featuring in Backbone-Donor/Pendant-Acceptor Structure: Material and Device Perspectives.
Zhang B, Cheng Y
Responses of duckweed (Lemna minor L.) to aluminum stress: Physiological and proteomics analyses.
Su C, Jiang Y, Yang Y, Zhang W, Xu Q
Screening for the selective inhibitors of MMP-9 from natural products based on pharmacophore modeling and molecular docking in combination with bioassay experiment, hybrid QM/MM calculation, and MD simulation.
Hou J, Zou Q, Wang Y, Gao Q, Yao W, Yao Q, Zhang J
Simultaneous immunofluorescent imaging of gliadins, low molecular weight glutenins, and high molecular weight glutenins in wheat flour dough with antibody-quantum dot complexes.
Bonilla JC, Bernal-Crespo V, Schaber JA, Bhunia AK, Kokini JL