Search Results - "Nowosielski, Marcin"
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Detailed Mechanism of Squalene Epoxidase Inhibition by Terbinafine
Published in Journal of chemical information and modeling (28-02-2011)“…Squalene epoxidase (SE) is a key flavin adenine dinucleotide (FAD)-dependent enzyme of ergosterol and cholesterol biosynthetic pathways and an attractive…”
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Naphthalimides Selectively Inhibit the Activity of Bacterial, Replicative DNA Ligases and Display Bactericidal Effects against Tubercle Bacilli
Published in Molecules (Basel, Switzerland) (01-01-2017)“…The DNA ligases, enzymes that seal breaks in the backbones of DNA, are essential for all organisms, however bacterial ligases essential for DNA replication use…”
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Evaluation of DNA Primase DnaG as a Potential Target for Antibiotics
Published in Antimicrobial Agents and Chemotherapy (01-03-2014)“…Classifications Services AAC Citing Articles Google Scholar PubMed Related Content Social Bookmarking CiteULike Delicious Digg Facebook Google+ Mendeley Reddit…”
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Exploring the Phase Space of Alpha-Synuclein with Replica Exchange Simulations
Published in Biophysical journal (27-01-2015)Get full text
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DFT study on hydroxy acid-lactone interconversion of statins: the case of atorvastatin
Published in Organic & biomolecular chemistry (07-10-2008)“…Atorvastatin (ATV), the best known HMG-CoA reductase inhibitor family member, undergoes pH-dependent hydroxy acid-lactone interconversion similar to other…”
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Do the substituent effects affect conformational freedom of squalene in hopene biosynthesis?
Published in Journal of molecular modeling (01-09-2011)“…The analysis of biochemical processes is one of the main challenges for modern computational chemistry. Probably the biggest issue facing scientists in this…”
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The MM2QM tool for combining docking, molecular dynamics, molecular mechanics, and quantum mechanics
Published in Journal of computational chemistry (05-04-2013)“…The use of the MM2QM tool in a combined docking + molecular dynamics (MD) + molecular mechanics (MM) + quantum mechanical (QM) binding affinity prediction…”
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