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	Conformational analysis of soticlestat, an inhibitor of CYP46A1 (CH24H), and its derivatives by variable-temperature nmr and computational methods 期刊论文 OAI收割 STRUCTURAL CHEMISTRY, 2025, 页码: 25 作者: Huang, Wenqian; Hu, Xinwei; Lin, Xiaotong; Khan, Maaz; Qian, Chunli \| 收藏 \| 浏览/下载：12/0 \| 提交时间：2025/04/01 Atropisomerism Axial chirality Soticlestat Variable-temperature NMR Molecular mechanics Quantum mechanics
	The phenolic profile of walnut meal protein isolate and interaction of phenolics with walnut protein 期刊论文 OAI收割 FOOD RESEARCH INTERNATIONAL, 2023, 卷号: 170, 页码: 113042 作者: Wang,Yuxi; Tan,Bing; Chen,Chi \| 收藏 \| 浏览/下载：27/0 \| 提交时间：2024/07/30 Walnut meal Protein isolate Phenolic compounds Interaction mechanisms Protein functional properties AMINO-ACID-COMPOSITION FUNCTIONAL-PROPERTIES MOLECULAR DOCKING ANTIOXIDANT ACTIVITY BINDING INTERACTION QUANTUM-MECHANICS BETA-CASEIN BIOACCESSIBILITY HYDROLYSIS PEPTIDES
	Research of Lilium brownii leaves extract as a commendable and green inhibitor for X70 steel corrosion in hydrochloric acid 期刊论文 OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2021, 卷号: 321 作者: Zuo, Xiuli; Li, Wenpo; Luo, Wei; Zhang, Xin; Qiang, Yujie \| 收藏 \| 浏览/下载：12/0 \| 提交时间：2021/12/01 M HCL SOLUTION MILD-STEEL SULFURIC-ACID CARBON-STEEL MOLECULAR-DYNAMICS COPPER CORROSION QUANTUM-MECHANICS AQUEOUS EXTRACT M H2SO4 DERIVATIVES
	Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge 期刊论文 OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8 作者: Peng, Cheng; Wang, Jinan; Xu, Zhijian; Cai, Tingting; Zhu, Weiliang \| 收藏 \| 浏览/下载：28/0 \| 提交时间：2020/07/01 adaptive steered molecular dynamics (ASMD) binding affinity HIV-1 protease semi-empirical quantum mechanics
	Molecular mechanism of activation of human musk receptors OR5AN1 and OR1A1 by (R)-muscone and diverse other musk-smelling compounds 期刊论文 OAI收割 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2018, 卷号: 115, 期号: 17, 页码: E3950-E3958 作者: Ahmed, Lucky; Ozbil, Mehmet; Sekharan, Sivakumar; Ten, Nicholas; Batista, Victor S. \| 收藏 \| 浏览/下载：25/0 \| 提交时间：2020/12/09 olfaction odorant receptor musk quantum mechanics molecular dynamics
	Quantum effects on thermal vibration of single-walled carbon nanotubes conveying fluid 期刊论文 OAI收割 ACTA MECHANICA SOLIDA SINICA, 2017, 卷号: 30, 期号: 5, 页码: 550-556 作者: Zhang YeWei; Zhou Lin; Fang Bo; Yang TianZhi \| 收藏 \| 浏览/下载：15/0 \| 提交时间：2021/02/02 MOLECULAR-DYNAMICS WAVE-PROPAGATION CONTINUUM-MECHANICS YOUNGS MODULUS INSTABILITY FUNCTIONALIZATION DELIVERY Quantum effects Law of energy equipartition Fluid-conveying SWCNT Euler beam theory Root of mean-squared amplitude
	Structural and energetic insights into the selective interactions of monoacylglycerol lipase with its natural substrate and small-molecule inhibitors 期刊论文 OAI收割 MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 期号: 5, 页码: 2391-2404 作者: Chen, Huayou; Sun, Tengyun; Chen, Hongzhang; Tian, Rui; Zhang, Tianxi 收藏 \| 浏览/下载：32/0 \| 提交时间：2014/05/06 Monoacylglycerol lipase Fatty acid amide hydrolase Inhibitor selectivity Quantum mechanics/molecular mechanics Quantitative structure-selectivity relationship
	Equivalence of two approaches for quantum-classical hybrid systems 期刊论文 OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 128, 期号: 20 Zhan, F; Lin, Y; Wu, BA 收藏 \| 浏览/下载：26/0 \| 提交时间：2013/09/17 MOLECULAR-DYNAMICS INELASTIC COLLISIONS SEMICLASSICAL THEORY MIXING QUANTUM MECHANICS VARIABLES BACKREACTION TRANSITIONS FORMULATION
	Influence of electronic effect on catalytic activity of salicylaldiminato nickel(II) complexes 期刊论文 OAI收割 JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY, 2004, 卷号: 42, 期号: 19, 页码: 4765-4774 作者: Zhang, TZ; Guo, DW; Jie, SY; Sun, WH; Li, T \| 收藏 \| 浏览/下载：22/0 \| 提交时间：2019/04/09 Quantum Mechanics Molecular Mechanics Charge Equilibration Salicylaldiminato Ni (Ii) Complexes Polymerization Activity