Literature DB >> 2660832

Free energy via molecular simulation: applications to chemical and biomolecular systems.

D L Beveridge1, F M DiCapua.   

Abstract

Mesh:

Year:  1989        PMID: 2660832     DOI: 10.1146/annurev.bb.18.060189.002243

Source DB:  PubMed          Journal:  Annu Rev Biophys Biophys Chem        ISSN: 0883-9182


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  185 in total

1.  Protein ligand docking based on empirical method for binding affinity estimation.

Authors:  P Tao; L Lai
Journal:  J Comput Aided Mol Des       Date:  2001-05       Impact factor: 3.686

2.  Free energy of sickling: A simulation analysis.

Authors:  K Kuczera; J Gao; B Tidor; M Karplus
Journal:  Proc Natl Acad Sci U S A       Date:  1990-11       Impact factor: 11.205

3.  Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy.

Authors:  Jessica M J Swanson; Richard H Henchman; J Andrew McCammon
Journal:  Biophys J       Date:  2004-01       Impact factor: 4.033

4.  Bias and error in estimates of equilibrium free-energy differences from nonequilibrium measurements.

Authors:  Jeff Gore; Felix Ritort; Carlos Bustamante
Journal:  Proc Natl Acad Sci U S A       Date:  2003-10-03       Impact factor: 11.205

5.  Simulation method for calculating the entropy and free energy of peptides and proteins.

Authors:  Srinath Cheluvaraja; Hagai Meirovitch
Journal:  Proc Natl Acad Sci U S A       Date:  2004-06-14       Impact factor: 11.205

6.  Predicting folding free energy changes upon single point mutations.

Authors:  Zhe Zhang; Lin Wang; Yang Gao; Jie Zhang; Maxim Zhenirovskyy; Emil Alexov
Journal:  Bioinformatics       Date:  2012-01-11       Impact factor: 6.937

7.  Free energy simulations of ligand binding to the aspartate transporter Glt(Ph).

Authors:  Germano Heinzelmann; Turgut Baştuğ; Serdar Kuyucak
Journal:  Biophys J       Date:  2011-11-15       Impact factor: 4.033

8.  Nucleotide modifications and tRNA anticodon-mRNA codon interactions on the ribosome.

Authors:  Olof Allnér; Lennart Nilsson
Journal:  RNA       Date:  2011-10-25       Impact factor: 4.942

9.  Protein thermostability calculations using alchemical free energy simulations.

Authors:  Daniel Seeliger; Bert L de Groot
Journal:  Biophys J       Date:  2010-05-19       Impact factor: 4.033

10.  Modeling the complexation of substituted benzenes by a cyclophane host in water.

Authors:  W L Jorgensen; T B Nguyen
Journal:  Proc Natl Acad Sci U S A       Date:  1993-02-15       Impact factor: 11.205

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