The linear interaction energy method for the prediction of protein stability changes upon mutation

Atomistic Prediction of Sorption Free Energies of Cationic Aromatic Amines on Montmorillonite: A Linear Interaction Energy Method

Environmental Science & Technology Letters ◽

10.1021/ez500136g ◽

2014 ◽

Vol 1 (6) ◽

pp. 284-289 ◽

Cited By ~ 17

Author(s):

Milinda Samaraweera ◽

William Jolin ◽

Dharni Vasudevan ◽

Allison A. MacKay ◽

José A. Gascón

Keyword(s):

Interaction Energy ◽

Energy Method ◽

Aromatic Amines ◽

Free Energies ◽

Linear Interaction ◽

ChemInform Abstract: Quantitative Calculations of Antibody-Antigen Binding: Steroid-DB3 Binding Energies by the Linear Interaction Energy Method.

ChemInform ◽

10.1002/chin.200134190 ◽

2010 ◽

Vol 32 (34) ◽

pp. no-no

Author(s):

Jiangang Chen ◽

Renxiao Wang ◽

Michael Taussig ◽

K. N. Houk

Keyword(s):

Interaction Energy ◽

Energy Method ◽

Binding Energies ◽

Antigen Binding ◽

Linear Interaction ◽

Quantitative Calculations

Binding affinity models for Falcipain inhibition based on the Linear Interaction Energy method

10.1016/j.jmgm.2016.06.008 ◽

2016 ◽

Vol 70 ◽

pp. 236-245 ◽

Cited By ~ 3

Author(s):

Vasanthanathan Poongavanam ◽

Jacob Kongsted

Keyword(s):

Interaction Energy ◽

Binding Affinity ◽

Energy Method ◽

Linear Interaction ◽

Application of the linear interaction energy method (LIE) to estimate the binding free energy values of Escherichia coli wild-type and mutant arginine repressor C-terminal domain (ArgRc)–l-arginine and ArgRc–l-citrulline protein–ligand complexes

10.1016/j.jmgm.2003.09.003 ◽

2004 ◽

Vol 22 (4) ◽

pp. 249-262 ◽

Cited By ~ 7

Author(s):

A.M. Asi ◽

N.A. Rahman ◽

A.F. Merican

Keyword(s):

Escherichia Coli ◽

Free Energy ◽

Interaction Energy ◽

Energy Method ◽

Binding Free Energy ◽

Wild Type ◽

Linear Interaction ◽

Terminal Domain ◽

Arginine Repressor

Adequate prediction for inhibitor affinity of Aβ40 protofibril using the linear interaction energy method

RSC Advances ◽

10.1039/c9ra01177c ◽

2019 ◽

Vol 9 (22) ◽

pp. 12455-12461 ◽

Cited By ~ 3

Author(s):

Son Tung Ngo ◽

Binh Khanh Mai ◽

Philippe Derreumaux ◽

Van V. Vu

Keyword(s):

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Interaction Energy ◽

Energy Method ◽

Disease Treatment ◽

Aβ Oligomers ◽

Linear Interaction ◽

Efficient Approach

The efficient approach to estimate inhibitors targeting Aβ oligomers and fibrils is an important issue in Alzheimer's disease treatment.

Linear Interaction Energy: Method and Applications in Drug Design

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_20 ◽

2011 ◽

pp. 305-323 ◽

Cited By ~ 53

Author(s):

Hugo Gutiérrez-de-Terán ◽

Johan Åqvist

Keyword(s):

Drug Design ◽

Interaction Energy ◽

Energy Method ◽

Linear Interaction ◽

Calculation of the Binding Affinity of β-Secretase Inhibitors Using the Linear Interaction Energy Method

Journal of Medicinal Chemistry ◽

10.1021/jm020513b ◽

2003 ◽

Vol 46 (11) ◽

pp. 2074-2082 ◽

Cited By ~ 37

Author(s):

Brett A. Tounge ◽

Charles H. Reynolds

Keyword(s):

Interaction Energy ◽

Binding Affinity ◽

Energy Method ◽

Linear Interaction ◽

A comparative study of binding affinities for 6,7-dimethoxy-4-pyrrolidylquinazolines as phosphodiesterase 10A inhibitors using the linear interaction energy method

10.1016/j.jmgm.2015.06.010 ◽

2015 ◽

Vol 61 ◽

pp. 44-52 ◽

Cited By ~ 3

Author(s):

Erik Rosendahl Kjellgren ◽

Oliver Emil Skytte Glue ◽

Peter Reinholdt ◽

Julie Egeskov Meyer ◽

Jacob Kongsted ◽

...

Keyword(s):

Comparative Study ◽

Interaction Energy ◽

Energy Method ◽

Binding Affinities ◽

Linear Interaction ◽

Phosphodiesterase 10A

Applying linear interaction energy method for binding affinity calculations of podophyllotoxin analogues with tubulin using continuum solvent model and prediction of cytotoxic activity

10.1016/j.jmgm.2009.02.003 ◽

2009 ◽

Vol 27 (8) ◽

pp. 930-943 ◽

Cited By ~ 14

Author(s):

Md. Afroz Alam ◽

Pradeep Kumar Naik

Keyword(s):

Cytotoxic Activity ◽

Interaction Energy ◽

Binding Affinity ◽

Energy Method ◽

Linear Interaction ◽

Continuum Solvent Model ◽

Solvent Model ◽

Binding Affinity Calculations

Charges for Large Scale Binding Free Energy Calculations with the Linear Interaction Energy Method

Journal of Chemical Theory and Computation ◽

10.1021/ct800404f ◽

2009 ◽

Vol 5 (2) ◽

pp. 380-395 ◽

Cited By ~ 10

Author(s):

Göran Wallin ◽

Martin Nervall ◽

Jens Carlsson ◽

Johan Åqvist

Keyword(s):

Free Energy ◽

Interaction Energy ◽

Energy Method ◽

Large Scale ◽

Binding Free Energy ◽

Free Energy Calculations ◽

Linear Interaction ◽

Energy Calculations ◽

Binding Free Energy Calculations