Search Result "solvent perturbation"
Solvent Perturbation of Protein Structures - A Review Study with Lectins
Journal: Protein & Peptide Letters
Volume: 27 Issue: 6 Year: 2020 Page: 538-550
Author(s): Pritha Mandal,Anisur R. Molla
General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry
Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1713-1741
Author(s): Humberto Gonzalez-Diaz, Sonia Arrasate, Asier Gomez-SanJuan, Nuria Sotomayor, Esther Lete, Lina Besada-Porto, Juan M. Ruso
Modelling the Effect of Solvents on Carbohydrates
Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 249-255
Author(s): Vojtech Spiwok, Alfred D. French
Free Energy Perturbation Calculations on Glucosidase-Inhibitor Complexes
Journal: Medicinal Chemistry
Volume: 1 Issue: 5 Year: 2005 Page: 455-460
Author(s): F. M. Ruiz, J. R. Grigera
Matrix Trace Operators: From Spectral Moments of Molecular Graphs and Complex Networks to Perturbations in Synthetic Reactions, Micelle Nanoparticles, and Drug ADME Processes
Journal: Current Drug Metabolism
Volume: 15 Issue: 4 Year: 2014 Page: 470-488
Author(s): Humberto Gonzalez-Diaz,Sonia Arrasate,Asier Gomez-San Juan,Nuria Sotomayor,Esther Lete,Alejandro Speck-Planche,Juan M. Ruso,Feng Luan,Maria Natalia Dias Soeiro Cordeiro
Identification of HIV Inhibitors Guided by Free Energy Perturbation Calculations
Journal: Current Pharmaceutical Design
Volume: 18 Issue: 9 Year: 2012 Page: 1199-1216
Author(s): Orlando Acevedo, Zandrea Ambrose, Patrick T. Flaherty, Hadega Aamer, Prashi Jain, Somisetti V. Sambasivarao
Environmental Contaminants Perturb Fragile Protein Assemblies and Inhibit Normal Protein Function
Journal: Current Chemical Biology
Volume: 7 Issue: 2 Year: 2013 Page: 196-206
Author(s): Sarah H. Lawrence,Trevor Selwood,Eileen K. Jaffe
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
Computer Simulations of Biomolecules in Non-Aqueous and Semi-Aqueous Solvent Conditions
Ebook: Advances in Protein and Peptide Sciences
Volume: 1 Year: 2013
Author(s): Danilo Roccatano
Doi: 10.2174/9781608054879113010012
Solvent Viscosity and Friction in Protein Folding Dynamics
Journal: Current Protein & Peptide Science
Volume: 11 Issue: 5 Year: 2010 Page: 385-395
Author(s): Stephen J. Hagen