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Enzymatic and Inhibition Mechanism of Human Aromatase (CYP19A1) Enzyme. A Computational Perspective from QM/MM and Classical Molecular Dynamics Simulations

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 16 Issue: 14 Year: 2016 Page: 1112-1124
Author(s): Jacopo Sgrignani,Andrea Cavalli,Giorgio Colombo,Alessandra Magistrato

Identification of Potent Virtual Leads Specific to S1â Loop of ADAMTS4: Pharmacophore Modeling, 3D-QSAR, Molecular Docking and Dynamic Studies

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 3 Year: 2016 Page: 216-227
Author(s): P. Rathi Suganya,Sukesh Kalva,Lilly M. Saleena

Insights from the Molecular Dynamics Simulation of Cellobiohydrolase Cel6A Molecular Structural Model from Aspergillus fumigatus NITDGPKA3

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 4 Year: 2016 Page: 325-333
Author(s): Subba Reddy Dodda,Nibedita Sarkar,Kaustav Aikat,Navanietha R. Krishnaraj,Sanchari Bhattacharjee,Angshuman Bagchi,Sudit S. Mukhopadhyay

Computational Enzymology and Organophosphorus Degrading Enzymes: Promising Approaches Toward Remediation Technologies of Warfare Agents and Pesticides

Journal: Current Medicinal Chemistry
Volume: 23 Issue: 10 Year: 2016 Page: 1041-1061
Author(s): Teodorico C. Ramalho,Alexandre A. de Castro,Daniela R. Silva,Maria Cristina Silva,Tanos C. C. Franca,Brian J. Bennion,Kamil Kuca

Molecular Docking and Dynamics Simulation of Vibrio anguillarum Aspartate Semialdehyde Dehydrogenase with Natural Product Caulerpin

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 3 Year: 2016 Page: 255-261
Author(s): Parasuraman Aiya Subramani,Radha Mahendran,Rajamani Dinakaran Michael

Review Article

Artificial Enzyme-Catalyzed Diels-Alder Cycloadditions

Journal: Current Organic Chemistry
Volume: 20 Issue: 2 Year: 2016 Page: 2254-2281
Author(s): Kevin Cottet, Maria Kolympadi, Marie-Christine Lallemand, Dean Markovic

New Trends in the Design of Enzyme-based Biosensors for Medical Applications

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 16 Issue: 14 Year: 2016 Page: 1125-1133
Author(s): Ilaria Palchetti

Research Article

Molecular Dynamics Simulation and Docking Studies of Selenocyanate Derivatives as Anti-Leishmanial Agents

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 10 Year: 2016 Page: 847-854
Author(s): Maryam Iman,Hamid Bakhtiari Kaboutaraki,Rahim Jafari,Seyed Ayoub Hosseini,Abolghasem Moghimi,Ali Khamesipour,Asghar Beigi Harchegani,Asghar Davood

Native Proteins in Organic Chemistry. Recent Achievements in the use of non Hydrolytic Enzymes for the Synthesis of Pharmaceuticals

Journal: Current Organic Chemistry
Volume: 20 Issue: 11 Year: 2016 Page: 1204-1221
Author(s): MarÃa LÃ³pez-Iglesias,Daniel MÃ©ndez-SÃ¡nchez,Vicente Gotor-FernÃ¡ndez

Research Article

Modeling and Proposed Molecular Mechanism of Hydroxyurea Through Docking and Molecular Dynamic Simulation to Curtail the Action of Ribonucleotide Reductase

Journal: Recent Patents on Anti-Cancer Drug Discovery
Volume: 11 Issue: 4 Year: 2016 Page: 461-468
Author(s): Maryam Iman,Zeynab Khansefid,Asghar Davood

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