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Literature DB >> 15051331

Structural interpretation of pH and salt-dependent processes in proteins with computational methods.

Bertrand García-Moreno E¹, Carolyn A Fitch.

Abstract

Entities: Chemical

Mesh：

Substances：
Proteins
Salts

Year: 2004 PMID： 15051331 DOI： 10.1016/S0076-6879(04)80002-8

Source DB: PubMed Journal: Methods Enzymol ISSN： 0076-6879 Impact factor: 1.600

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Cited

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16 in total

1. Thermodynamic coupling of protonation and conformational equilibria in proteins: theory and simulation.

Authors: Chuanyin Shi; Jason A Wallace; Jana K Shen
Journal: Biophys J Date: 2012-04-03 Impact factor: 4.033

2. Continuum electrostatic calculations of the pKa of ionizable residues in an ion channel: dynamic vs. static input structure.

Authors: M Aguilella-Arzo; V M Aguilella
Journal: Eur Phys J E Soft Matter Date: 2010-04-25 Impact factor: 1.890

Review 3. The pKa Cooperative: a collaborative effort to advance structure-based calculations of pKa values and electrostatic effects in proteins.

Authors: Jens E Nielsen; M R Gunner; Bertrand E García-Moreno
Journal: Proteins Date: 2011-10-15

4. Toward an accurate theoretical framework for describing ensembles for proteins under strongly denaturing conditions.

Authors: Hoang T Tran; Rohit V Pappu
Journal: Biophys J Date: 2006-06-09 Impact factor: 4.033

5. Accurate, conformation-dependent predictions of solvent effects on protein ionization constants.

Authors: P Barth; T Alber; P B Harbury
Journal: Proc Natl Acad Sci U S A Date: 2007-03-14 Impact factor: 11.205

6. A method to rationally increase protein stability based on the charge-charge interaction, with application to lipase LipK107.

Authors: Lujia Zhang; Xiaomang Tang; Dongbing Cui; Zhiqiang Yao; Bei Gao; Shuiqin Jiang; Bo Yin; Y Adam Yuan; Dongzhi Wei
Journal: Protein Sci Date: 2013-11-22 Impact factor: 6.725

Structural interpretation of pH and salt-dependent processes in proteins with computational methods.

1. Thermodynamic coupling of protonation and conformational equilibria in proteins: theory and simulation.

2. Continuum electrostatic calculations of the pKa of ionizable residues in an ion channel: dynamic vs. static input structure.

Review 3. The pKa Cooperative: a collaborative effort to advance structure-based calculations of pKa values and electrostatic effects in proteins.

4. Toward an accurate theoretical framework for describing ensembles for proteins under strongly denaturing conditions.

5. Accurate, conformation-dependent predictions of solvent effects on protein ionization constants.

6. A method to rationally increase protein stability based on the charge-charge interaction, with application to lipase LipK107.

7. Blind prediction of host-guest binding affinities: a new SAMPL3 challenge.

Review 8. Molecular mechanisms for generating transmembrane proton gradients.

9. MCCE2: improving protein pKa calculations with extensive side chain rotamer sampling.

Review 10. Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins.