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A Molecular Dynamics Investigation into the Mechanisms of Alectinib Resistance of Three ALK Mutants

artículo científico publicado en 2018

Computer simulations of the adsorption and diffusion processes of 1-butene in MCM-22 zeolite

Conformational Transition of Key Structural Features Involved in Activation of ALK Induced by Two Neuroblastoma Mutations and ATP Binding: Insight from Accelerated Molecular Dynamics Simulations

artículo científico publicado en 2018

Exploring the influence of hyperthermophilic protein Ssh10b on the stability and conformation of RNA by molecular dynamics simulation.

artículo científico publicado en 2017

Exploring the inhibition mechanism on HIF-2 by inhibitor PT2399 and 0X3 using molecular dynamics simulations

artículo científico publicado en 2018

Exploring the structure characteristics and major channels of cytochrome P450 2A6, 2A13, and 2E1 with pilocarpine

artículo científico publicado en 2018

How chorismatases regulate distinct reaction channels in a single conserved active pocket? Revealed by mechanistic analysis with QM/MM (ONIOM) investigations

scientific article published on 13 December 2018

How do mutations affect the structural characteristics and substrate binding of CYP21A2? An investigation by molecular dynamics simulations

artículo científico publicado en 2020

Insight on mutation-induced resistance to anaplastic lymphoma kinase inhibitor ceritinib from molecular dynamics simulations

scientific article published on 21 January 2019

Key Factors in Conformation Transformation of an Important Neuronic Protein Glucose Transport 3 Revealed by Molecular Dynamics Simulation

scientific article published on 18 October 2019

MD Simulation Investigation on the Binding Process of Smoke-Derived Germination Stimulants to Its Receptor

artículo científico publicado en 2019

Molecular dynamics investigation of stereoselective inhibition mechanism of HIF-2α/ARNT heterodimer

artículo científico publicado en 2017

Multiple Molecular Dynamics Simulations of the Inhibitor GRL-02031 Complex with Wild Type and Mutant HIV-1 Protease Reveal the Binding and Drug-Resistance Mechanism

artículo científico publicado en 2020

Revealing the binding and drug resistance mechanism of amprenavir, indinavir, ritonavir, and nelfinavir complexed with HIV-1 protease due to double mutations G48T/L89M by molecular dynamics simulations and free energy analyses

artículo científico publicado en 2020

Theoretical studies of the spectroscopic properties of blue emitting iridium complexes

scholarly article by Tao Liu et al published 11 June 2008 in Theoretical Chemistry Accounts

Theoretical studies on the structures and spectroscopic properties of rhenium(I) acetylide diimine complexes

artículo científico publicado en 2008

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