Search Result "solvation dynamics."


Solvation Models: Theory and Validation

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3266-3280
Author(s): Enrico O. Purisima,Traian Sulea

Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions

Ebook: Frontiers in Computational Chemistry
Volume: 1 Year: 2015
Author(s): Irene Maffucci,Alessandro Contini
Doi: 10.2174/9781608058648115010005

High Throughput Cherry-Picking of Solvated Samples

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 6 Year: 2010 Page: 482-489
Author(s): Robert Schmitt, Linda Traphagen, Phillip Hajduk

Electrostatic Contribution to the Ion Solvation Energy: Over-screening Effect in the Nonlocal Dielectric Response of the Polar Medium

Journal: Current Physical Chemistry
Volume: 6 Issue: 2 Year: 2016 Page: 120-129
Author(s): Andrey A. Rubashkin,Mikhail A. Vorotyntsev

Research Article

Domain-Specific Stabilization of Structural and Dynamic Responses of Human Serum Albumin by Sucrose

Journal: Protein & Peptide Letters
Volume: 26 Issue: 4 Year: 2019 Page: 287-300
Author(s): Vaisakh Mohan,Bhaswati Sengupta,Nilimesh Das,Indrani Banerjee,Pratik Sen

Dynamics and Hydration of the Active Sites of Mammalian Cytochromes P450 Probed by Molecular Dynamics Simulations

Journal: Current Drug Metabolism
Volume: 13 Issue: 2 Year: 2012 Page: 177-189
Author(s): Tereza Hendrychova, Karel Berka, Veronika Navratilova, Pavel Anzenbacher, Michal Otyepka

Molecular Dynamics of Protein Kinase-Inhibitor Complexes: A Valid Structural Information

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 20 Year: 2012 Page: 2946-2963
Author(s): Julio Caballero,Jans H. Alzate-Morales

Ecology of Protein Dynamics

Journal: Current Physical Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 9-16
Author(s): Giuseppe Zaccai

Dynamic Model for Enzyme Action

Journal: Protein & Peptide Letters
Volume: 18 Issue: 1 Year: 2011 Page: 92-99
Author(s): Qinyi Zhao

Structure and Dynamics of Cardiotoxins

Journal: Current Protein & Peptide Science
Volume: 13 Issue: 6 Year: 2012 Page: 570-584
Author(s): Anastasia G. Konshina,Peter V. Dubovskii,Roman G. Efremov

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