Literature DB >> 27557051

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin.

W L Jorgensen, J Tirado-Rives.   

Abstract

Entities:  

Year:  1988        PMID： 27557051     DOI： 10.1021/ja00214a001

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


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  458 in total

1.  Deciphering common failures in molecular docking of ligand-protein complexes.

Authors:  G M Verkhivker; D Bouzida; D K Gehlhaar; P A Rejto; S Arthurs; A B Colson; S T Freer; V Larson; B A Luty; T Marrone; P W Rose
Journal:  J Comput Aided Mol Des       Date:  2000-11       Impact factor: 3.686

2.  Conformational flexibility in calcitonin: the dynamic properties of human and salmon calcitonin in solution.

Authors:  P Amodeo; A Motta; G Strazzullo; M A Castiglione Morelli
Journal:  J Biomol NMR       Date:  1999-02       Impact factor: 2.835

3.  Influence of non-bonded parameters on the quality of NMR structures: a new force field for NMR structure calculation.

Authors:  J P Linge; M Nilges
Journal:  J Biomol NMR       Date:  1999-01       Impact factor: 2.835

4.  Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore.

Authors:  O Nicolotti; M Pellegrini-Calace; A Carrieri; C Altomare; N B Centeno; F Sanz; A Carotti
Journal:  J Comput Aided Mol Des       Date:  2001-09       Impact factor: 3.686

5.  Enzyme specificity under dynamic control II: Principal component analysis of alpha-lytic protease using global and local solvent boundary conditions.

Authors:  N Ota; D A Agard
Journal:  Protein Sci       Date:  2001-07       Impact factor: 6.725

6.  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

7.  Arginine mutations in antibody complementarity-determining regions display context-dependent affinity/specificity trade-offs.

Authors:  Kathryn E Tiller; Lijuan Li; Sandeep Kumar; Mark C Julian; Shekhar Garde; Peter M Tessier
Journal:  J Biol Chem       Date:  2017-08-04       Impact factor: 5.157

8.  A missense mutation in CLIC2 associated with intellectual disability is predicted by in silico modeling to affect protein stability and dynamics.

Authors:  Shawn Witham; Kyoko Takano; Charles Schwartz; Emil Alexov
Journal:  Proteins       Date:  2011-05-31

9.  Thermal hysteresis in the backbone and side-chain dynamics of the elastin mimetic peptide [VPGVG]3 revealed by 2H NMR.

Authors:  Xiang Ma; Cheng Sun; Jiaxin Huang; Gregory S Boutis
Journal:  J Phys Chem B       Date:  2011-12-20       Impact factor: 2.991

10.  A Kirkwood-Buff force field for the aromatic amino acids.

Authors:  Elizabeth A Ploetz; Paul E Smith
Journal:  Phys Chem Chem Phys       Date:  2011-09-19       Impact factor: 3.676
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