Study of the influence of temperature on the dynamics of the catalytic cleft in 1,3-1,4-β-glucanase by molecular dynamics simulations

Journal of Molecular Modeling

Volumn 12, Issue 6, 2006, Pages 835-845

  Gargallo, Raimundo ^a   Cedano, Juan ^b   Mozo Villarias, Angel ^c   Querol, Enrique ^b   Oliva, Baldomero ^d  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^c Universitat de Lleida Facultat de Medicina Sabadell   (Spain)

^d UNIVERSITAT POMPEU FABRA   (Spain)

Author keywords

Enzyme deactivation; Essential dynamics; Reactionfield; Structural alignment; Thermoinactivation

Indexed keywords

CALCIUM ION; ENDO 1,3(4) BETA GLUCANASE;

ARTICLE; BACILLUS LICHENIFORMIS; CALCIUM TRANSPORT; CATALYSIS; COMPUTER PROGRAM; CONTROLLED STUDY; ENTROPY; ENZYME ACTIVITY; ENZYME INACTIVATION; ENZYME STRUCTURE; HIGH TEMPERATURE; LOW TEMPERATURE; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; SOLVATION; TEMPERATURE DEPENDENCE; THERMODYNAMICS;

BACILLUS; BACTERIAL PROTEINS; CATALYTIC DOMAIN; COMPUTER SIMULATION; ENDO-1,3(4)-BETA-GLUCANASE; MODELS, MOLECULAR; MOTION; PROTEIN DENATURATION; TEMPERATURE;

BACILLUS LICHENIFORMIS;

EID: 33749265003     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-006-0110-6     Document Type: Article

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