Search Result "Thermodynamic ensemble"


Emerging Methods for Ensemble-Based Virtual Screening

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 3-13
Author(s): Rommie E. Amaro, Wilfred W. Li

Generalized-Ensemble Algorithms for Protein Folding and Unfolding

Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 92-106
Author(s): Yuko Okamoto

Amyloid Motif Prediction Using Ensemble Approach

Journal: Current Bioinformatics
Volume: 11 Issue: 3 Year: 2016 Page: 357-365
Author(s): Smitha Sunil Kumaran Nair,N. V. Subba Reddy

Role of Ensemble Conformational Sampling Using Molecular Docking & Dynamics in Drug Discovery

Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s):
Doi: 10.2174/9789815036848122060004

Thermodynamic Stability and Flexibility Characteristics of Antibody Fragment Complexes

Journal: Protein & Peptide Letters
Volume: 21 Issue: 8 Year: 2014 Page: 752-765
Author(s): Tong Li,Deeptak Verma,Malgorzata B. Tracka,Jose Casas-Finet,Dennis R. Livesay,Donald J. Jacobs

Prediction of the Functional Roles of Small Molecules in Lipid Metabolism Based on Ensemble Learning

Journal: Protein & Peptide Letters
Volume: 19 Issue: 1 Year: 2012 Page: 108-112
Author(s): Chun-Rong Peng, Wen-Cong Lu, Bing Niu, Ya-Jun Li, Le-Le Hu

Protonation States and Conformational Ensemble in Ligand-based QSAR Modeling

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4323-4329
Author(s): Pier G. De Benedetti

Insights into the Conformational Ensemble of Human Islet Amyloid Polypeptide from Molecular Simulations

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 23 Year: 2016 Page: 3601-3607
Author(s): Linh Tran,Tap Ha-Duong

Outlines of a Verbal Account of the Thermodynamic Entropy for a Pedagogical Approach

Ebook: An Account of Thermodynamic Entropy
Volume: 1 Year: 2017
Author(s): Alberto Gianinetti
Doi: 10.2174/9781681083933117010023

Allosteric Coupling and Conformational Fluctuations in Proteins

Journal: Current Protein & Peptide Science
Volume: 10 Issue: 2 Year: 2009 Page: 110-115
Author(s): H. Ongun Onaran, Tommaso Costa

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