Publications by authors named "Alina Bora"

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Exploring DrugCentral: from molecular structures to clinical effects.
Liliana Halip, Sorin Avram, Ramona Curpan, Ana Borota, Alina Bora

J Comput Aided Mol Des· December 2023

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Correction: Exploring DrugCentral: from molecular structures to clinical effects.
Liliana Halip, Sorin Avram, Ramona Curpan, Ana Borota, Alina Bora

J Comput Aided Mol Des· December 2023

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New Insights on the Activity and Selectivity of MAO-B Inhibitors through In Silico Methods.
Liliana Pacureanu, Alina Bora, Luminita Crisan

Int J Mol Sci· May 2023

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DrugCentral 2023 extends human clinical data and integrates veterinary drugs.
Sorin Avram, Thomas B Wilson, Ramona Curpan, Liliana Halip, Ana Borota, Alina Bora

Nucleic Acids Res· January 2023

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Application of Molecular Docking, Homology Modeling, and Chemometric Approaches to Neonicotinoid Toxicity against Aphis craccivora.
Luminita Crisan, Ana Borota, Alina Bora, Takahiro Suzuki, Simona Funar-Timofei

Mol Inform· March 2022

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Virtual screening and drug repurposing experiments to identify potential novel selective MAO-B inhibitors for Parkinson's disease treatment.
Luminita Crisan, Daniela Istrate, Alina Bora, Liliana Pacureanu

Mol Divers· August 2021

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Small Molecules of Natural Origin as Potential Anti-HIV Agents: A Computational Approach.
Luminita Crisan, Alina Bora

Life (Basel)· July 2021

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DrugCentral 2021 supports drug discovery and repositioning.
Sorin Avram, Cristian G Bologa, Jayme Holmes, Giovanni Bocci, Thomas B Wilson, Alina Bora

Nucleic Acids Res· January 2021

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Off-Patent Drug Repositioning.
Sorin Avram, Ramona Curpan, Liliana Halip, Alina Bora, Tudor I Oprea

J Chem Inf Model· December 2020

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Neonicotinoid insecticide design: molecular docking, multiple chemometric approaches, and toxicity relationship with Cowpea aphids.
Alina Bora, Takahiro Suzuki, Simona Funar-Timofei

Environ Sci Pollut Res Int· May 2019

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Enhancing Molecular Promiscuity Evaluation Through Assay Profiles.
Sorin Avram, Ramona Curpan, Alina Bora, Cristian Neanu, Liliana Halip

Pharm Res· October 2018

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Modeling Kinase Inhibition Using Highly Confident Data Sets.
Sorin Avram, Alina Bora, Liliana Halip, Ramona Curpăn

J Chem Inf Model· May 2018

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Predictive Models for Fast and Effective Profiling of Kinase Inhibitors.
Alina Bora, Sorin Avram, Ionel Ciucanu, Marius Raica, Stefana Avram

J Chem Inf Model· May 2016

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PLS and shape-based similarity analysis of maleimides--GSK-3 inhibitors.
Luminita Crisan, Liliana Pacureanu, Sorin Avram, Alina Bora, Speranta Avram

J Enzyme Inhib Med Chem· August 2014

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ColBioS-FlavRC: a collection of bioselective flavonoids and related compounds filtered from high-throughput screening outcomes.
Sorin I Avram, Liliana M Pacureanu, Alina Bora, Luminita Crisan, Stefana Avram

J Chem Inf Model· August 2014

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Modeling of 2-pyridin-3-yl-benzo[d][1,3]oxazin-4-one derivatives by several conformational searching tools and molecular docking.
Mohammad Goodarzi, Alina Bora, Ana Borota, Simona Funar-Timofei, Sorin Avram

Curr Pharm Des· September 2013

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Retrospective group fusion similarity search based on eROCE evaluation metric.
Sorin I Avram, Luminita Crisan, Alina Bora, Liliana M Pacureanu, Stefana Avram

Bioorg Med Chem· March 2013

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PLS-DA - Docking Optimized Combined Energetic Terms (PLSDA-DOCET) protocol: a brief evaluation.
Sorin Avram, Liliana M Pacureanu, Edward Seclaman, Alina Bora, Ludovic Kurunczi

J Chem Inf Model· December 2011

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ChemProt: a disease chemical biology database.
Olivier Taboureau, Sonny Kim Nielsen, Karine Audouze, Nils Weinhold, Daniel Edsgärd, Alina Bora

Nucleic Acids Res· January 2011

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