Literature DB >> 7919800

Molecular mechanics in biology: from structure to function, taking account of solvation.

W F van Gunsteren1, F J Luque, D Timms, A E Torda.   

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Year:  1994        PMID： 7919800     DOI： 10.1146/annurev.bb.23.060194.004215

Source DB:  PubMed          Journal:  Annu Rev Biophys Biomol Struct        ISSN： 1056-8700


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  10 in total

1.  An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions.

Authors:  Yuchun Lin; Andrij Baumketner; Shaozhong Deng; Zhenli Xu; Donald Jacobs; Wei Cai
Journal:  J Chem Phys       Date:  2009-10-21       Impact factor: 3.488

2.  Classical molecular dynamics simulation of the photoinduced electron transfer dynamics of plastocyanin.

Authors:  L W Ungar; N F Scherer; G A Voth
Journal:  Biophys J       Date:  1997-01       Impact factor: 4.033

3.  Folding simulations of alanine-based peptides with lysine residues.

Authors:  S S Sung
Journal:  Biophys J       Date:  1995-03       Impact factor: 4.033

4.  Improving the quality of NMR and crystallographic protein structures by means of a conformational database potential derived from structure databases.

Authors:  J Kuszewski; A M Gronenborn; G M Clore
Journal:  Protein Sci       Date:  1996-06       Impact factor: 6.725

5.  Carbohydrate force fields.

Authors:  B Lachele Foley; Matthew B Tessier; Robert J Woods
Journal:  Wiley Interdiscip Rev Comput Mol Sci       Date:  2012-07

Review 6.  Multi-scale computational enzymology: enhancing our understanding of enzymatic catalysis.

Authors:  Rami Gherib; Hisham M Dokainish; James W Gauld
Journal:  Int J Mol Sci       Date:  2013-12-31       Impact factor: 5.923

7.  Hydration Thermodynamics of Non-Polar Aromatic Hydrocarbons: Comparison of Implicit and Explicit Solvation Models.

Authors:  Hankyul Lee; Hyung-Kyu Lim; Hyungjun Kim
Journal:  Molecules       Date:  2018-11-09       Impact factor: 4.411

8.  Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? A case study using hen lysozyme.

Authors:  Maria Pechlaner; Wilfred F van Gunsteren; Niels Hansen; Lorna J Smith
Journal:  Eur Biophys J       Date:  2022-03-18       Impact factor: 2.095

9.  Residue-Specific Solvation-Directed Thermodynamic and Kinetic Control over Peptide Self-Assembly with 1D/2D Structure Selection.

Authors:  Yiyang Lin; Matthew Penna; Michael R Thomas; Jonathan P Wojciechowski; Vincent Leonardo; Ye Wang; E Thomas Pashuck; Irene Yarovsky; Molly M Stevens
Journal:  ACS Nano       Date:  2019-01-23       Impact factor: 15.881

10.  On the use of intra-molecular distance and angle constraints to lengthen the time step in molecular and stochastic dynamics simulations of proteins.

Authors:  Maria Pechlaner; Wilfred F van Gunsteren
Journal:  Proteins       Date:  2021-10-07
  10 in total

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