Lista de obras -

A novel flavanone derivative inhibits dengue virus fusion and infectivity

artículo científico publicado en 2018

Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes

artículo científico publicado en 2014

Binding pattern of the long acting neuraminidase inhibitor laninamivir towards influenza A subtypes H5N1 and pandemic H1N1 ⬇️

artículo científico publicado el 4 de julio de 2012

Butoxy Mansonone G Inhibits STAT3 and Akt Signaling Pathways in Non-Small Cell Lung Cancers: Combined Experimental and Theoretical Investigations.

artículo científico publicado en 2019

Cardol triene inhibits dengue infectivity by targeting kl loops and preventing envelope fusion

artículo científico publicado en 2018

Combination of Experimental and Theoretical Investigations of MnOx/Ce0.9Zr0.1O2 Nanorods for Selective Catalytic Reduction of NO with Ammonia

Combinatorial design of avian influenza neuraminidase inhibitors containing pyrrolidine core with a reduced susceptibility to viral drug resistance

artículo científico publicado en 2010

Combined QM/MM mechanistic study of the acylation process in furin complexed with the H5N1 avian influenza virus hemagglutinin's cleavage site

artículo científico publicado en 2009

Computational screening of fatty acid synthase inhibitors against thioesterase domain

artículo científico publicado en 2017

Computational studies of influenza A virus at three important targets: hemagglutinin, neuraminidase and M2 protein

artículo científico publicado en 2011

Design of oseltamivir analogs inhibiting neuraminidase of avian influenza virus H5N1.

artículo científico publicado en 2009

Designed antiviral ankyrin – A computational approach to combat HIV-1 via intracellular pathway by targeting the viral capsid of HIV-1

article

Drugs against avian influenza a virus: design of novel sulfonate inhibitors of neuraminidase N1.

artículo científico publicado en 2014

Dynamic behavior of avian influenza A virus neuraminidase subtype H5N1 in complex with oseltamivir, zanamivir, peramivir, and their phosphonate analogues

artículo científico publicado en 2009

Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir

artículo científico publicado en 2016

Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation ⬇️

artículo científico publicado el 7 de junio de 2013

Effects of rhodomyrtone on Gram-positive bacterial tubulin homologue FtsZ.

artículo científico publicado en 2017

Effects of the Protonation State of the Catalytic Residues and Ligands Upon Binding and Recognition in Targeted Proteins of HIV-1 and Influenza Viruses ⬇️

artículo científico publicado el 1 de enero de 2013

Evolution of human receptor binding affinity of H1N1 hemagglutinins from 1918 to 2009 pandemic influenza A virus

artículo científico publicado en 2010

Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulations

article

How amantadine and rimantadine inhibit proton transport in the M2 protein channel

artículo científico publicado en 2008

How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system? ⬇️

artículo científico publicado el 11 de noviembre de 2010

How does each substituent functional group of oseltamivir lose its activity against virulent H5N1 influenza mutants?

artículo científico publicado en 2009

Immuno-informatics driven proteome-wide investigation revealed novel peptide-based vaccine targets against emerging multiple drug resistant Providencia stuartii

artículo científico publicado en 2018

In silico screening for potent inhibitors against the NS3/4A protease of hepatitis C virus

artículo científico publicado en 2014

Inclusion complexation of pinostrobin with various cyclodextrin derivatives

artículo científico publicado en 2015

Interactions of HLA-DR and Topoisomerase I Epitope Modulated Genetic Risk for Systemic Sclerosis

artículo científico publicado en 2019

Key binding and susceptibility of NS3/4A serine protease inhibitors against hepatitis C virus

artículo científico publicado en 2014

Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex ⬇️

artículo científico publicado el 29 de diciembre de 2011

Molecular Dynamics Simulation Reveals the Selective Binding of Human Leukocyte Antigen Alleles Associated with Behçet's Disease

artículo científico publicado en 2015

Molecular insight into the specific binding of ADP-ribose to the nsP3 macro domains of chikungunya and Venezuelan equine encephalitis viruses: molecular dynamics simulations and free energy calculations

artículo científico publicado el 29 de octubre de 2010

Molecular insights into human receptor binding to 2009 H1N1 influenza A hemagglutinin

Molecular insights into inclusion complexes of mansonone E and H enantiomers with various β-cyclodextrins

artículo científico publicado en 2017

Molecular insights into the binding affinity and specificity of the hemagglutinin cleavage loop from four highly pathogenic H5N1 isolates towards the proprotein convertase furin

Molecular prediction of oseltamivir efficiency against probable influenza A (H1N1-2009) mutants: molecular modeling approach.

artículo científico publicado en 2010

Morphology-Dependent Properties of MnOx/ZrO2–CeO2 Nanostructures for the Selective Catalytic Reduction of NO with NH3

Nitric oxide promotes cancer cell dedifferentiation by disrupting an Oct4:caveolin-1 complex: A new regulatory mechanism for cancer stem cell formation

artículo científico publicado en 2018

Petrosamine, a potent anticholinesterase pyridoacridine alkaloid from a Thai marine sponge Petrosia n. sp.

artículo científico publicado en 2008

Physical properties and biological activities of hesperetin and naringenin in complex with methylated β-cyclodextrin

artículo científico publicado en 2015

Proteome-wide identification of epitope-based vaccine candidates against multi-drug resistant Proteus mirabilis

artículo científico publicado en 2018

Proton transport through the influenza A M2 channel: three-dimensional reference interaction site model study

artículo científico publicado en 2010

Replica exchange molecular dynamics simulation of chitosan for drug delivery system based on carbon nanotube

artículo científico publicado en 2012

Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study

artículo científico publicado en 2016

Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics

artículo científico publicado en 2016

Source of oseltamivir resistance in avian influenza H5N1 virus with the H274Y mutation

artículo científico publicado en 2008

Structural insight of DNA topoisomerases I from camptothecin-producing plants revealed by molecular dynamics simulations

artículo científico publicado en 2015

Structure–Activity Relationships of NiO on CeO2 Nanorods for the Selective Catalytic Reduction of NO with NH3: Experimental and DFT Studies

article published in 2014

Susceptibility of antiviral drugs against 2009 influenza A (H1N1) virus.

artículo científico publicado en 2009

Synthesis and in vitro study of novel neuraminidase inhibitors against avian influenza virus

artículo científico publicado en 2012

Synthesis, Biological Evaluation and Molecular Docking of Avicequinone C Analogues as Potential Steroid 5α-Reductase Inhibitors

artículo científico publicado en 2017

The significance of naturally occurring neuraminidase quasispecies of H5N1 avian influenza virus on resistance to oseltamivir: a point of concern

artículo científico publicado en 2016

Two novel antimicrobial defensins from rice identified by gene coexpression network analyses

artículo científico publicado en 2016

Understanding of known drug-target interactions in the catalytic pocket of neuraminidase subtype N1.

artículo científico publicado en 2008

Why amantadine loses its function in influenza m2 mutants: MD simulations

artículo científico publicado en 2009

pH-controlled doxorubicin anticancer loading and release from carbon nanotube noncovalently modified by chitosan: MD simulations

artículo científico publicado en 2016

Lista de obras de

A novel flavanone derivative inhibits dengue virus fusion and infectivity

Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes

Binding pattern of the long acting neuraminidase inhibitor laninamivir towards influenza A subtypes H5N1 and pandemic H1N1 ⬇️

Butoxy Mansonone G Inhibits STAT3 and Akt Signaling Pathways in Non-Small Cell Lung Cancers: Combined Experimental and Theoretical Investigations.

Cardol triene inhibits dengue infectivity by targeting kl loops and preventing envelope fusion

Combination of Experimental and Theoretical Investigations of MnOx/Ce0.9Zr0.1O2 Nanorods for Selective Catalytic Reduction of NO with Ammonia

Combinatorial design of avian influenza neuraminidase inhibitors containing pyrrolidine core with a reduced susceptibility to viral drug resistance

Combined QM/MM mechanistic study of the acylation process in furin complexed with the H5N1 avian influenza virus hemagglutinin's cleavage site

Computational screening of fatty acid synthase inhibitors against thioesterase domain

Computational studies of influenza A virus at three important targets: hemagglutinin, neuraminidase and M2 protein

Design of oseltamivir analogs inhibiting neuraminidase of avian influenza virus H5N1.

Designed antiviral ankyrin – A computational approach to combat HIV-1 via intracellular pathway by targeting the viral capsid of HIV-1

Drugs against avian influenza a virus: design of novel sulfonate inhibitors of neuraminidase N1.

Dynamic behavior of avian influenza A virus neuraminidase subtype H5N1 in complex with oseltamivir, zanamivir, peramivir, and their phosphonate analogues

Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir

Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation ⬇️

Effects of rhodomyrtone on Gram-positive bacterial tubulin homologue FtsZ.

Effects of the Protonation State of the Catalytic Residues and Ligands Upon Binding and Recognition in Targeted Proteins of HIV-1 and Influenza Viruses ⬇️

Evolution of human receptor binding affinity of H1N1 hemagglutinins from 1918 to 2009 pandemic influenza A virus

Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulations

How amantadine and rimantadine inhibit proton transport in the M2 protein channel

How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system? ⬇️

How does each substituent functional group of oseltamivir lose its activity against virulent H5N1 influenza mutants?

Immuno-informatics driven proteome-wide investigation revealed novel peptide-based vaccine targets against emerging multiple drug resistant Providencia stuartii

In silico screening for potent inhibitors against the NS3/4A protease of hepatitis C virus

Inclusion complexation of pinostrobin with various cyclodextrin derivatives

Interactions of HLA-DR and Topoisomerase I Epitope Modulated Genetic Risk for Systemic Sclerosis

Key binding and susceptibility of NS3/4A serine protease inhibitors against hepatitis C virus

Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex ⬇️

Molecular Dynamics Simulation Reveals the Selective Binding of Human Leukocyte Antigen Alleles Associated with Behçet's Disease

Molecular insight into the specific binding of ADP-ribose to the nsP3 macro domains of chikungunya and Venezuelan equine encephalitis viruses: molecular dynamics simulations and free energy calculations

Molecular insights into human receptor binding to 2009 H1N1 influenza A hemagglutinin

Molecular insights into inclusion complexes of mansonone E and H enantiomers with various β-cyclodextrins

Molecular insights into the binding affinity and specificity of the hemagglutinin cleavage loop from four highly pathogenic H5N1 isolates towards the proprotein convertase furin

Molecular prediction of oseltamivir efficiency against probable influenza A (H1N1-2009) mutants: molecular modeling approach.

Morphology-Dependent Properties of MnOx/ZrO2–CeO2 Nanostructures for the Selective Catalytic Reduction of NO with NH3

Nitric oxide promotes cancer cell dedifferentiation by disrupting an Oct4:caveolin-1 complex: A new regulatory mechanism for cancer stem cell formation

Petrosamine, a potent anticholinesterase pyridoacridine alkaloid from a Thai marine sponge Petrosia n. sp.

Physical properties and biological activities of hesperetin and naringenin in complex with methylated β-cyclodextrin

Proteome-wide identification of epitope-based vaccine candidates against multi-drug resistant Proteus mirabilis

Proton transport through the influenza A M2 channel: three-dimensional reference interaction site model study

Replica exchange molecular dynamics simulation of chitosan for drug delivery system based on carbon nanotube

Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study

Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics

Source of oseltamivir resistance in avian influenza H5N1 virus with the H274Y mutation

Structural insight of DNA topoisomerases I from camptothecin-producing plants revealed by molecular dynamics simulations

Structure–Activity Relationships of NiO on CeO2 Nanorods for the Selective Catalytic Reduction of NO with NH3: Experimental and DFT Studies

Susceptibility of antiviral drugs against 2009 influenza A (H1N1) virus.

Synthesis and in vitro study of novel neuraminidase inhibitors against avian influenza virus

Synthesis, Biological Evaluation and Molecular Docking of Avicequinone C Analogues as Potential Steroid 5α-Reductase Inhibitors

The significance of naturally occurring neuraminidase quasispecies of H5N1 avian influenza virus on resistance to oseltamivir: a point of concern

Two novel antimicrobial defensins from rice identified by gene coexpression network analyses

Understanding of known drug-target interactions in the catalytic pocket of neuraminidase subtype N1.

Why amantadine loses its function in influenza m2 mutants: MD simulations

pH-controlled doxorubicin anticancer loading and release from carbon nanotube noncovalently modified by chitosan: MD simulations