Search Result "replica-exchange molecular dynamics (REMD)"


Recent Applications of Replica-Exchange Molecular Dynamics Simulations of Biomolecules

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 401-412
Author(s): Yuji Sugita,Naoyuki Miyashita,Pai-Chi Li,Takao Yoda,Yuko Okamoto

Solution NMR Studies of Aβ Monomer Dynamics

Journal: Protein & Peptide Letters
Volume: 18 Issue: 4 Year: 2011 Page: 354-361
Author(s): Chunyu Wang

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

Drug Design by Generalized-Ensemble Simulations

Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1758-1772
Author(s): Yuko Okamoto

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

Review Article

Molecular Mechanism of Tau Misfolding and Aggregation: Insightsfrom Molecular Dynamics Simulation

Journal: Current Medicinal Chemistry
Volume: 31 Issue: 20 Year: 2024 Page: 2855-2871
Author(s):

Insights into Aβ Aggregation: A Molecular Dynamics Perspective

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 2 Year: 2012 Page: 2596-2610
Author(s): Joan-Emma Shea, Brigita Urbanc

Protonation States in Molecular Dynamics Simulations of Peptide Folding and Binding

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4173-4181
Author(s): Avraham Ben- Shimon, Deborah E. Shalev, Masha Y. Niv

Human Prion Protein Helices: Studying Their Stability by Molecular Dynamics Simulations (SUPPLEMENTARY MATERIAL)

Journal: Protein & Peptide Letters
Volume: 16 Issue: 9 Year: 2009 Page: 1057-1062
Author(s): Susan Costantini, Angelo M. Facchiano

A Computational Study of the Structure and Dynamics of the E. coli Transcription Factor RfaH

Journal: Current Biotechnology
Volume: 4 Issue: 1 Year: 2015 Page: 26-38
Author(s): Anna Kahler,Anselm H.C. Horn,Heinrich Sticht

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