Search Results

Drug-drug interaction prediction using PASS

by A.V. Dmitriev, D.A. Filimonov, A.V. Rudik, P.V. Pogodin, D.A. Karasev, A.A. Lagunin, V.V. Poroikov
Published 2019

Drug-drug interaction prediction using PASS

by A.V. Dmitriev, D.A. Filimonov, A.V. Rudik, P.V. Pogodin, D.A. Karasev, A.A. Lagunin, V.V. Poroikov
Published 2019

Prediction of Severity of Drug-Drug Interactions Caused by Enzyme Inhibition and Activation

by Alexander Dmitriev, Dmitry Filimonov, Alexey Lagunin, Dmitry Karasev, Pavel Pogodin, Anastasiya Rudik, Vladimir Poroikov
Published in Molecules (2019)

Prediction of Severity of Drug-Drug Interactions Caused by Enzyme Inhibition and Activation

by Alexander Dmitriev, Dmitry Filimonov, Alexey Lagunin, Dmitry Karasev, Pavel Pogodin, Anastasiya Rudik, Vladimir Poroikov
Published in Molecules (2019)

ORCA: OpeRational ClassificAtion of Drug Interactions

by Hansten, Philip D., Horn, John R., Hazlet, Thomas K.
Published in Journal of the American Pharmaceutical Association (1996) (2001)

Data for: "A multifunctional drug delivery system based on switchable peptide-stabilized emulsions" ...

by Boas, Daniel, van Teijlingen, Alexander, Shpilt, Zohar
Published 2024

Model HKSA Senyawa Turunan Isoflavonoid sebagai Agen Sitotoksik terhadap Sel MCF-7 dengan Metode Semiempiris PM3

by DEWI, Ardiyanti Annisaa’ Utami
Published 2020

Predicting global killer whale population collapse from PCB pollution

by Desforges, Jean-Pierre, Hall, Ailsa, McConnell, Bernie, Rosing-Asvid, Aqqalu, Barber, Jonathan L, Brownlow, Andrew, De Guise, Sylvain, Eulaers, Igor, Jepson, Paul D, Letcher, Robert J, Levin, Milton, Ross, Peter S, Samarra, Filipa, Víkingson, Gísli, Sonne, Christian, Dietz, Rune
Published in Science (2018)

215. Preclinical Development of ORCA-010, a Novel Potency-Enhanced Oncolytic Adenovirus

Published in Molecular Therapy (2012)

Pro-organic radical contrast agents (“pro-ORCAs”) for real-time MRI of pro-drug activation in biological systems

by Nguyen, Hung V.-T., Detappe, Alexandre, Harvey, Peter, Gallagher, Nolan, Mathieu, Clelia, Agius, Michael P., Zavidij, Oksana, Wang, Wencong, Jiang, Yivan, Rajca, Andrzej, Jasanoff, Alan, Ghobrial, Irene M., Ghoroghchian, P. Peter, Johnson, Jeremiah A.
Published in Polymer Chemistry (2020)

Pro-organic radical contrast agents (“pro-ORCAs”) for real-time MRI of pro-drug activation in biological systems

by Nguyen, Hung V.-T., Detappe, Alexandre, Harvey, Peter, Gallagher, Nolan, Mathieu, Clelia, Agius, Michael P., Zavidij, Oksana, Wang, Wencong, Jiang, Yivan, Rajca, Andrzej, Jasanoff, Alan, Ghobrial, Irene M., Ghoroghchian, P. Peter, Johnson, Jeremiah A.
Published in Polymer Chemistry (2020)

Pro-organic radical contrast agents (“pro-ORCAs”) for real-time MRI of pro-drug activation in biological systems

by Nguyen, Hung VanThanh, Detappe, Alexandre, Harvey, Peter, Gallagher, Nolan, Mathieu, Clelia, Agius, Michael P., Zavidij, Oksana, Wang, Wencong, Jiang, Yivan, Rajca, Andrzej, Jasanoff, Alan Pradip, Ghobrial, Irene M., Ghoroghchian, Paiman Peter, Johnson, Jeremiah A.
Published in Polymer Chemistry (2020)

In silico molecular docking analysis of karanjin against alzheimer’s and parkinson’s diseases as a potential natural lead molecule for new drug design, development and therapy

by Gnanaraj, Charles, Sekar, Mahendran, Fuloria, Shivkanya, Swain, Shasank S., Gan, Siew Hua, Chidambaram, Kumarappan, Rani, Nur Najihah Izzati Mat, Balan, Tavamani, Stephenie, Sarah, Lum, Pei Teng, Jeyabalan, Srikanth, Begum, M. Yasmin, Chandramohan, Vivek, Thangavelu, Lakshmi, Subramaniyan, Vetriselvan, Fuloria, Neeraj Kumar
Published in Molecules (2022)

Search for Novel Lead Inhibitors of Yeast Cytochrome bc1, from Drugbank and COCONUT

by Ozren Jović, Tomislav Šmuc
Published in Molecules (2021)

In Silico Molecular Docking Analysis of Karanjin against Alzheimer’s and Parkinson’s Diseases as a Potential Natural Lead Molecule for New Drug Design, Development and Therapy

by Charles Gnanaraj, Mahendran Sekar, Shivkanya Fuloria, Shasank S. Swain, Siew Hua Gan, Kumarappan Chidambaram, Nur Najihah Izzati Mat Rani, Tavamani Balan, Sarah Stephenie, Pei Teng Lum, Srikanth Jeyabalan, M. Yasmin Begum, Vivek Chandramohan, Lakshmi Thangavelu, Vetriselvan Subramaniyan, Neeraj Kumar Fuloria
Published in Molecules (2022)

QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations.

by Votapka, Lane, Amaro, Rommie, Ojha, Anupam
Published 2023

QMrebind: Incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations

by Ojha, Anupam Anand, Votapka, Lane, Amaro, Rommie
Published 2023

QMrebind: Incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations

by Ojha, Anupam Anand, Votapka, Lane, Amaro, Rommie
Published 2023

Comparative performance of two drug interaction screening programmes analysing a cross-sectional prescription dataset of 84,625 psychiatric inpatients

by Zorina, Olesya I, Haueis, Patrick, Greil, Waldemar, Grohmann, Renate, Kullak-Ublick, Gerd A, Russmann, Stefan
Published 2013

Search for Novel Lead Inhibitors of Yeast Cytochrome bc1, from Drugbank and COCONUT

by Ozren Jović, Tomislav Šmuc
Published in Molecules (2021)