Results 81 to 90 of about 6,361 (135)

Molecular Dynamics Simulations of Rhodamine B Zwitterion Diffusion in Polyelectrolyte Solutions. [PDF]

J Phys Chem B, 2022
Walhout PK, He Z, Dutagaci B, Nawrocki G, Feig M.   +4 more
europepmc   +1 more source

Dynamics of Bioactive Compounds and Their Relationship with Antioxidant and Antimicrobial Activity in the Pulp, Peel, and Seeds of 'Salak' During Ripening. [PDF]

Foods
Coyago-Cruz E, Méndez G, Zúñiga-Miranda J, Jami N, Acurio-Vásconez R, Heredia-Moya J.   +5 more
europepmc   +1 more source

Morphology Control in PDVT-10/DTCP Hybrid Films via Meniscus-Guided Cooperative Crystallization for High-Performance OFETs. [PDF]

ACS Appl Mater Interfaces
Lin XY, Nipate DS, Chen SK, Harada M, Jeng US, Kohout M, Lin HC, Kitagawa Y, Akutagawa T, Lee WY, Chen HH.   +10 more
europepmc   +1 more source

Molecular simulation-based 3D structural construction of olfactory receptor with agonist binding. [PDF]

J Comput Aided Mol Des
Hirao T, Ihara Y, Ijichi C, Kudo G, Yoshino R, Hirokawa T.   +5 more
europepmc   +1 more source

Structural Insights Into CO₂ Transport Pathways in a W-Formate Dehydrogenase: Structural Basis for CO₂ Reduction. [PDF]

Angew Chem Int Ed Engl
Vilela-Alves G, Manuel RR, Martins G, Carpentier P, Raczyńska A, Szaleniec M, Pereira IAC, Romão MJ, Mota C.   +8 more
europepmc   +1 more source

Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline. [PDF]

Front Mol Biosci, 2021
Lau EY, Negrete OA, Bennett WFD, Bennion BJ, Borucki M, Bourguet F, Epstein A, Franco M, Harmon B, He S, Jones D, Kim H, Kirshner D, Lao V, Lo J, McLoughlin K, Mosesso R, Murugesh DK, Saada EA, Segelke B, Stefan MA, Stevenson GA, Torres MW, Weilhammer DR, Wong S, Yang Y, Zemla A, Zhang X, Zhu F, Allen JE, Lightstone FC.   +30 more
europepmc   +1 more source

Computational hybrid framework integrating clinical-mutation profiling and physics-based simulations to predict structural tolerance of Bruton tyrosine kinase (BTK) and sustained ARQ 531 binding. [PDF]

Curr Res Struct Biol
Khan A, Sawali MA, Shkoor M, Hasssan F, Al-Zoubi RM, Alshabrmi FM, Crovella S, Agouni A.   +7 more
europepmc   +1 more source

Infection and vaccine induced Spike antibody responses against SARS-CoV-2 Variants of concern in immune naïve children and adults

, 2022
Pillay A, Yeola A, Tea F, Denkova M, Houston S, Burrell R, Merheb V, Lee FXZ, Moran L, Jadhav A, Sterling K, Lai CL, Vitagliano TL, Aggarwal A, Catchpoole D, Wood N, Phan TG, Nanan R, Hsu P, Turville SG, Britton PN, Brilot F.   +21 more
europepmc   +1 more source

The effect of amycretin, a unimolecular glucagon-like peptide-1 and amylin receptor agonist, on body weight and metabolic dysfunction in mice and rats. [PDF]

EBioMedicine
Kuhre RE, Ballarín-González B, Brand CL, Glendorf T, Madsen KG, Hjøllund KR, Hogendorf WFJ, Ipsen DH, Lundh S, Kruse T, Petersen SB, Secher A, Vegge A, Raun K.   +13 more
europepmc   +1 more source

Identifying non-nucleoside inhibitors of RNA-dependent RNA-polymerase of SARS-CoV-2 through per-residue energy decomposition-based pharmacophore modeling, molecular docking, and molecular dynamics simulation. [PDF]

J Infect Public Health, 2023
Aziz S, Waqas M, Mohanta TK, Halim SA, Iqbal A, Ali A, Khalid A, Abdalla AN, Khan A, Al-Harrasi A.   +9 more
europepmc   +1 more source