Literature DB >> 18687950

Intermolecular potentials.

Anthony J Stone1.   

Abstract

Year:  2008        PMID： 18687950     DOI： 10.1126/science.1158006

Source DB:  PubMed          Journal:  Science        ISSN： 0036-8075            Impact factor:   47.728


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  15 in total

1.  How much do van der Waals dispersion forces contribute to molecular recognition in solution?

Authors:  Lixu Yang; Catherine Adam; Gary S Nichol; Scott L Cockroft
Journal:  Nat Chem       Date:  2013-10-20       Impact factor: 24.427

2.  Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator.

Authors:  Fang-Yu Lin; Pedro E M Lopes; Edward Harder; Benoît Roux; Alexander D MacKerell
Journal:  J Chem Inf Model       Date:  2018-04-17       Impact factor: 4.956

3.  Computation of protein-ligand binding free energies using quantum mechanical bespoke force fields.

Authors:  Daniel J Cole; Israel Cabeza de Vaca; William L Jorgensen
Journal:  Medchemcomm       Date:  2019-02-27       Impact factor: 3.597

4.  Current status of protein force fields for molecular dynamics simulations.

Authors:  Pedro E M Lopes; Olgun Guvench; Alexander D MacKerell
Journal:  Methods Mol Biol       Date:  2015

5.  Chlorotrinitromethane and its exceptionally short carbon-chlorine bond.

Authors:  Michael Göbel; Boris H Tchitchanov; Jane S Murray; Peter Politzer; Thomas M Klapötke
Journal:  Nat Chem       Date:  2009-05-03       Impact factor: 24.427

6.  Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides.

Authors:  Robert B Best; Gerhard Hummer
Journal:  J Phys Chem B       Date:  2009-07-02       Impact factor: 2.991

7.  Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles.

Authors:  Robert B Best; Xiao Zhu; Jihyun Shim; Pedro E M Lopes; Jeetain Mittal; Michael Feig; Alexander D Mackerell
Journal:  J Chem Theory Comput       Date:  2012-07-18       Impact factor: 6.006

8.  Limiting assumptions in molecular modeling: electrostatics.

Authors:  Garland R Marshall
Journal:  J Comput Aided Mol Des       Date:  2013-01-26       Impact factor: 3.686

9.  Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation.

Authors:  Robert B Best; Jeetain Mittal; Michael Feig; Alexander D MacKerell
Journal:  Biophys J       Date:  2012-09-05       Impact factor: 4.033

10.  The Structure, Thermodynamics and Solubility of Organic Crystals from Simulation with a Polarizable Force Field.

Authors:  Michael J Schnieders; Jonas Baltrusaitis; Yue Shi; Gaurav Chattree; Lianqing Zheng; Wei Yang; Pengyu Ren
Journal:  J Chem Theory Comput       Date:  2012-04-13       Impact factor: 6.006
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