مكتبة

Source: J Chem Inf ModelMusleh, S, Alibay, I, Biggin, P C & Bryce, R A 2024, ' Analysis of Glycan Recognition by Concanavalin A Using Absolute Binding Free Energy Calculations ', Journal of Chemical

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Academic Journal

Cryo-EM investigation of ryanodine receptor type 3

Authors : Yu Seby Chen; Maricela Garcia-Castañeda; Maria Charalambous

Subjects: Models, Molecular; Adenosine Triphosphate, Animals, Binding Sites, Calcium, Cryoelectron Microscopy, HEK293 Cells, Humans, Ligands, Models, Molecular, Protein Binding, Ryanodine Receptor Calcium Release Channel; Binding Sites

Source: Nat CommunNature Communications, Vol 15, Iss 1, Pp 1-12 (2024)

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Diffusion Models in De Novo Drug Design

Authors : Amira Alakhdar; Barnabas Poczos; Newell Washburn

Subjects: Diffusion; Models, Molecular; Drug Design

Source: J Chem Inf Model

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IEV2Mol: Molecular Generative Model Considering Protein–Ligand Interaction Energy Vectors

Authors : Mami Ozawa; Shogo Nakamura; Nobuaki Yasuo

Subjects: Molecular Docking Simulation; Models, Molecular; Drug Design

Source: J Chem Inf Model

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Discovery of novel chemotype inhibitors targeting Anaplastic Lymphoma Kinase receptor through ligand-based pharmacophore modelling

Authors : I, El-Jundi; S, Daoud; M O, Taha

Subjects: Models, Molecular; Pharmacophore; Drug Discovery

Source: SAR and QSAR in Environmental Research. 35:795-815

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Structure-based drug design for TSPO: Challenges and opportunities

Authors : Mia Giladi; Andrew P. Montgomery; Michael Kassiou

Subjects: Models, Molecular; Receptors, GABA; Drug Design

Source: Biochimie. 224:41-50

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Structural analysis of a ligand-triggered intermolecular disulfide switch in a major latex protein from opium poppy

Authors : Samuel C. Carr; Peter J. Facchini; Kenneth K. S. Ng

Subjects: Models, Molecular; 0303 health sciences; Binding Sites

Source: Acta Crystallogr D Struct Biol

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Structure of a fully assembled γδ T cell antigen receptor

Authors : Gully, BS; Ferreira Fernandes, J; Gunasinghe, SD

Subjects: Models, Molecular; Immunoglobulin Fab Fragments; Protein Subunits

Source: Nature

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نتائج البحث

فلترة النتائج

mPGES-1 Inhibitor Discovery Based on Computer-Aided Screening: Pharmacophore Models, Molecular Docking, ADMET, and MD Simulations

Structure-based drug design with equivariant diffusion models

Analysis of Glycan Recognition by Concanavalin A Using Absolute Binding Free Energy Calculations

Cryo-EM investigation of ryanodine receptor type 3

Diffusion Models in De Novo Drug Design

IEV2Mol: Molecular Generative Model Considering Protein–Ligand Interaction Energy Vectors

Discovery of novel chemotype inhibitors targeting Anaplastic Lymphoma Kinase receptor through ligand-based pharmacophore modelling

Structure-based drug design for TSPO: Challenges and opportunities

Structural analysis of a ligand-triggered intermolecular disulfide switch in a major latex protein from opium poppy

Structure of a fully assembled γδ T cell antigen receptor

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