molecularmodeling相关论文
SPONGE (Simulation Package tOward Next GEneration molecular modeling) is a software package for molecu-lar dynamics (MD)......
Important progress has been made in the development of energetic molecules with high performance by computer-aided molec......
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In this work we address the feasibility of in silico studies of the influence of superplasticizers on the microevolution......
Currently,the associated research on metal-organic frameworks(MOFs)has been rapidly developed into one of the highly uni......
Background: Nicotine is the main tobacco alkaloid that leads to smoking addiction.Human serum albumin(HSA)is the most ab......
Membrane Destruction and DNA Binding of Staphylococcus aureus Cells Induced by Carvacrol, and its Co
Main objectives: The aim of the study was to investigate the antimicrobial mechanisms of Carvacrol (5-isopropyl-2-methyl......
Guided by crystal structures of HIV-1 RT/diarylpyrimidine(DAPY)complex,molecular modeling studies and our previous effor......
Sweet state is a basic physiological sensation of humans and other mammals which is mediated by the broadly acting sweet......
Discovery of Novel Diarylpyrimidines as Potent HIV NNRTIs via A Structure-guided Core-refining Appro
Guided by crystal structures of HIV-1 RT/DAPY complex and molecular modeling studies,a series of novel DAPY derivatives ......
Alisols are the main pharmaceutical components of Alisma,a well known herb in Traditional Chinese Medicine (TCM).This pa......
Molecular Modeling of Interplay between Nanoparticle Wrapping and Clustering of Inner Anchored Membr
The receptor mediated endocytosis of nanoparticles(NPs)is known to be size and shape dependent but regulated by membrane......
Guided by crystal structures of HIV-1 RT/DAPY complex,molecular modeling studies and our previous efforts,series of nove......
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Hepatitis E virus is (HEV) an important cause of severe acute hepatitis in human.It is a non-enveloped single-strand RNA......
Molecular Modelling Study on Selective Flotation Mechanism of Sodium Chloride Particle with Dodecylm
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The objective of this study was to improve the stability and water-solubility of patchouli alcohol by complexing with β......
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Amorphous solid dispersion(SD)is an effective solubilization technique for water-insoluble drugs....
The rice glutelin(RG)solubility,surface hydrophobicity,intermolecular interaction of RG and amylose,binding paramete......
Background: Persistent organic pollutants (POPs) cause various diseases in both human and wildlife and have become a......
Computational Investigation of the Anti-HIV Activity of Chinese Medicinal Formula Three-Huang Powder
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Binding Activity Difference of Anti-CD20 scFv-Fc Fusion Protein Derived from Variable Domain Exchang
Two novel engineered antibody fragments binding to antigen CD20 were generated by fusing a murine IgM-type anti-CD20 sin......
Inclusion complexes of cefuroxime axetil withβ-cyclodextrin:Physicochemical characterization, molecu
The inclusion complexes of poorly water-soluble cephalosporin, cefuroxime axetil (CFA), were prepared withβ-cyclodextri......
