Clindamycin Phosphate-Mediated Enantioseparation of Amino Acids by Capillary Electrophoresis: Molecular Modeling and NMR Insights into the Chiral Recognition Mechanism. [PDF]
Khalid MAA +3 more
europepmc +1 more source
From structure prediction to ligand-target recognition: expanding the reach of AlphaFold in natural product research. [PDF]
Xu G +6 more
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Huilan Zheng,1 Jingping Wu,2 Jinhong Feng,2 Hongbin Cheng3 1School of Clinical Medicine, Chengdu University of Traditional Chinese Medicine, Chengdu, Sichuan Province, 610075, People’s Republic of China; 2Department of Medical Cosmetology, Hospital of ...
Zheng H, Wu J, Feng J, Cheng H
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In Silico and Experimental Evidence for Theasaponin E2 as a Modulator of the AKT1/GSK-3β Signaling Axis in Osteoclast Differentiation. [PDF]
Zhang L, Ding Y, Bao X, Deepak V.
europepmc +1 more source
Pocket contrastive learning and conformation fusion for robust structure-conditioned 3D molecular generation under receptor conformational variation. [PDF]
Liu H, Ding Y, Guo X, Wu H.
europepmc +1 more source
Molecular Docking of Natural Products: Critical Appraisal of Current Methodology and Practical Guidelines. [PDF]
Makhmutova AS +2 more
europepmc +1 more source
VOC·BIO Library: An Integrated Platform for Published Aphid GC-MS Evidence, Biological Contexts, Cheminformatics and Exploratory OBP Docking. [PDF]
Alsufyani T, Hussain T, Alotaibi NJ.
europepmc +1 more source
Research progress on the application of multi-scale computational methods in the research and development of anti-tuberculosis infection drugs. [PDF]
Zhao Y +5 more
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Furanocoumarins from the Roots of <i>Cachrys cristata</i> DC.: Isolation, Anticholinesterase Activity, and Molecular Docking Studies. [PDF]
Kuran FK +6 more
europepmc +1 more source
In Silico Evaluation of Cyanobacteria-Derived Bioactive Compounds as Potential Monoamine Oxidase-B Inhibitors for Parkinson's Disease: Molecular Docking and Molecular Dynamics Simulation Study. [PDF]
Khalid S +9 more
europepmc +1 more source

