Boosting Drug Discovery: Expanding the Applicability of Fragment Dissolved Molecular Dynamics to Accelerate Binding Mode Elucidation por Maria Nuria Peralta-Moreno (22675048)

Materias:

Data Sheet 1_Inspecting the factors of individualizing and binding moral value orientation in the Moral Foundations Questionnaire-2 for validation—a re-analysis of data from pre-se... por Steffen Wild (22234270)

“…Thus, the question arises: what is the empirical structure of moral value orientations in Ghana, and is it possible to identify the factors of individualizing and binding moral value orientations in line with the theoretical framework?.…”

<b>Structural Determinants of Non-Covalent PPARγ Inverse Agonism and Their Therapeutic Implications</b> por Kuang-Ting Kuo (21682520)

“…HDX and molecular dynamic simulations revealed that ligand-induced dynamics within ligand-binding pocket and AF2 domain correlate with enhanced receptor binding and differential repression. …”

Unveiling ZIF‑8 Nucleation Mechanisms through Molecular Simulation: Role of Temperature, Solvent, and Reactant Concentration por Sahar Andarzi Gargari (22675844)

“…Synthesizing new metal–organic frameworks (MOFs) is a challenging task, as the size, morphology, polymorph, and type and number of defects present on the synthesis product may depend on many variables, including temperature, solvent, concentration and nature of reactants, among others. …”

Unveiling ZIF‑8 Nucleation Mechanisms through Molecular Simulation: Role of Temperature, Solvent, and Reactant Concentration por Sahar Andarzi Gargari (22675844)

“…Synthesizing new metal–organic frameworks (MOFs) is a challenging task, as the size, morphology, polymorph, and type and number of defects present on the synthesis product may depend on many variables, including temperature, solvent, concentration and nature of reactants, among others. …”