Search Result "QM/MM"

QM/MM Insight on Enzymatic Reactions of Glycosyltransferases

Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 263-269
Author(s): Igor Tvaroska

QM/MM Modelling of Drug-Metabolizing Enzymes

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 11 Year: 2014 Page: 1339-1347
Author(s): Richard Lonsdale,Adrian J. Mulholland

Mini-Review Article

Hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Simulation:A Tool for Structure-Based Drug Design and Discovery

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 22 Issue: 8 Year: 2022 Page: 1096-1107
Author(s): Vivek K. Vyas,Prajakta U. Kulkarni

Using QM/MM Methods for the Exploration of Electron Transfer Pathways

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 2 Issue: 3 Year: 2012 Page: 263-272
Author(s): Maria F. Lucas,Diego Masone,Suwipa Saen-oon,Frank Wallrapp,Victor Guallar

QM/MM Approaches in Medicinal Chemistry Research

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 46-54
Author(s): Lochana C. Menikarachchi, Jose A. Gascon

QSAR and QM/MM Approaches Applied to Drug Metabolism Prediction

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 573-582
Author(s): R. C. Braga,C. H. Andrade

Docking Modes of BB-3497 into the PDF Active Site – A Comparison of the Pure MM and QM/MM Based Docking Strategies

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 4 Year: 2014 Page: 315-326
Author(s): Tripti Kumari,Upasana Issar,Rita Kakkar

Advances in Binding Free Energies Calculations: QM/MM-Based Free Energy Perturbation Method for Drug Design

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 26 Year: 2013 Page: 4674-4686
Author(s): R.S. Rathore,M. Sumakanth,M. Siva Reddy,P. Reddanna,Allam Appa Rao,Mark D. Erion,M.R. Reddy

Review Article

Combined Quantum and Molecular Mechanics (QM/MM) Approaches to Simulate Ultrafast Photodynamics in Biological Systems

Journal: Current Organic Chemistry
Volume: 21 Issue: 7 Year: 2017 Page: 586-601
Author(s): Oliver Weingart

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

Previous   Next

Go To   Results 1 - 1 of 549

Apply Filters

Volume Years
Article Type
Publication Title
Subject Title

Content Type


© 2024 Bentham Science Publishers | Privacy Policy