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Abrogation of AuroraA-TPX2 by novel natural inhibitors: molecular dynamics-based mechanistic analysis

artículo científico publicado en 2015

Checking the STEP-Associated Trafficking and Internalization of Glutamate Receptors for Reduced Cognitive Deficits: A Machine Learning Approach-Based Cheminformatics Study and Its Application for Drug Repurposing

artículo científico publicado en 2015

Cheminformatics Based Machine Learning Models for AMA1-RON2 Abrogators for Inhibiting Plasmodium falciparum Erythrocyte Invasion

artículo científico publicado en 2015

Cheminformatics models based on machine learning approaches for design of USP1/UAF1 abrogators as anticancer agents

artículo científico publicado en 2015

Fragment based G-QSAR and molecular dynamics based mechanistic simulations into hydroxamic-based HDAC inhibitors against spinocerebellar ataxia

artículo científico publicado en 2015

GQSAR modeling and combinatorial library generation of 4-phenylquinazoline-2-carboxamide derivatives as antiproliferative agents in human Glioblastoma tumors

artículo científico publicado en 2017

Hsp90: Friends, clients and natural foes.

artículo científico publicado en 2016

Hydrophobic Interactions Are a Key to MDM2 Inhibition by Polyphenols as Revealed by Molecular Dynamics Simulations and MM/PBSA Free Energy Calculations

artículo científico publicado en 2016

Integrating network, sequence and functional features using machine learning approaches towards identification of novel Alzheimer genes

artículo científico publicado en 2016

Molecular modeling and lead design of substituted zanamivir derivatives as potent anti-influenza drugs

artículo científico publicado en 2016

Natural polyphenolic inhibitors against the antiapoptotic BCL-2.

artículo científico publicado en 2017

Novel group-based QSAR and combinatorial design of CK-1δ inhibitors as neuroprotective agents

artículo científico publicado en 2016

Structural Basis For Drug Resistance Mechanisms Against EGFR.

artículo científico publicado en 2017

Structural investigations of T854A mutation in EGFR and identification of novel inhibitors using structure activity relationships

artículo científico publicado en 2015

Structural studies on molecular mechanisms of Nelfinavir resistance caused by non-active site mutation V77I in HIV-1 protease

artículo científico publicado en 2015

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