CONFORMATIONAL ENERGY CALCULATIONS OF ENZYME-SUBSTRATE INTERACTIONS. II. Computation of the Binding Energy for Substrates in the Active Site of α-Chymotrypsin

CONFORMATIONAL ENERGY CALCULATIONS OF ENZYME-SUBSTRATE INTERACTIONS. I. Computation of Preferred Conformations of Some Substrates of α-Chymotrypsin

International journal of peptide & protein research ◽

10.1111/j.1399-3011.1972.tb03419.x ◽

2009 ◽

Vol 4 (3) ◽

pp. 187-200 ◽

Cited By ~ 19

Author(s):

Karen E. B. Platzer ◽

Frank A. Momany ◽

Harold A. Scheraga

Keyword(s):

Conformational Energy ◽

Substrate Interactions ◽

Energy Calculations ◽

Enzyme Substrate ◽

Conformational Energy Calculations ◽

Conformational Energy Calculations of Enzyme-Substrate and Enzyme-Inhibitor Complexes of Lysozyme. 2. Calculation of the Structures of Complexes with a Flexible Enzyme

Macromolecules ◽

10.1021/ma60070a016 ◽

1979 ◽

Vol 12 (4) ◽

pp. 633-644 ◽

Cited By ~ 36

Author(s):

Matthew R. Pincus ◽

Harold A. Scheraga

Keyword(s):

Enzyme Inhibitor ◽

Conformational Energy ◽

Energy Calculations ◽

Enzyme Substrate ◽

Secondary enzyme-substrate interactions: kinetic evidence for ionic interactions between substrate side chains and the pepsin active site

Biochemistry ◽

10.1021/bi00413a037 ◽

1988 ◽

Vol 27 (13) ◽

pp. 4827-4834 ◽

Cited By ~ 45

Author(s):

Jan Pohl ◽

Ben M. Dunn

Keyword(s):

Active Site ◽

Ionic Interactions ◽

Side Chains ◽

Substrate Interactions ◽

Enzyme Substrate ◽

Substrate Side ◽

Conformational energy calculations of enzyme-substrate complexes of lysozyme. I. Energy minimization of monosaccharide and oligosaccharide inhibitors and substrates of lysozyme

Biopolymers ◽

10.1002/bip.1976.360151212 ◽

1976 ◽

Vol 15 (12) ◽

pp. 2485-2521 ◽

Cited By ~ 47

Author(s):

Matthew R. Pincus ◽

Antony W. Burgess ◽

Harold A. Scheraga

Keyword(s):

Energy Minimization ◽

Conformational Energy ◽

Energy Calculations ◽

Enzyme Substrate ◽

Conformational energy calculations of enzyme-substrate complexes of lysozyme. I. Energy minimization of monosaccharide and oligosaccharide inhibitors and substrates of lysozyme

Biopolymers ◽

10.1002/bip.1977.360160220 ◽

1977 ◽

Vol 16 (2) ◽

pp. 468-468 ◽

Cited By ~ 1

Author(s):

Matthew R. Pincus ◽

Antony W. Burgess ◽

Harold A. Scheraga

Keyword(s):

Energy Minimization ◽

Conformational Energy ◽

Energy Calculations ◽

Enzyme Substrate ◽

Functioning of drug-metabolizing microsomal cytochrome P450s: In silico probing of proteins suggests that the distal heme ‘active site’ pocket plays a relatively ‘passive role’ in some enzyme-substrate interactions

In Silico Pharmacology ◽

10.1186/s40203-016-0016-7 ◽

2016 ◽

Vol 4 (1) ◽

Cited By ~ 10

Author(s):

Avanthika Venkatachalam ◽

Abhinav Parashar ◽

Kelath Murali Manoj

Keyword(s):

Active Site ◽

In Silico ◽

Cytochrome P450s ◽

Substrate Interactions ◽

Microsomal Cytochrome ◽

Active Site Pocket ◽

Enzyme Substrate ◽

Active Site of alpha-Lytic Protease. Enzyme-Substrate Interactions

European Journal of Biochemistry ◽

10.1111/j.1432-1033.1981.tb05702.x ◽

1981 ◽

Vol 120 (2) ◽

pp. 289-294 ◽

Cited By ~ 30

Author(s):

Carl-Axel BAUER ◽

Gary D. BRAYER ◽

Anita R. SIELCDKI ◽

Michael N. G. JAMES

Keyword(s):

Active Site ◽

Substrate Interactions ◽

Enzyme Substrate ◽

Protease Enzyme ◽

Conformational energy calculations on the glycan chain of peptidoglycan

Biochemical Society Transactions ◽

10.1042/bst0140629 ◽

1986 ◽

Vol 14 (3) ◽

pp. 629-630 ◽

Cited By ~ 1

Author(s):

ALAN MARSDEN ◽

BARRY ROBSON ◽

J. STUART THOMPSON

Keyword(s):

Conformational Energy ◽

Energy Calculations ◽

Glycan Chain ◽

Proton magnetic relaxation studies of the interaction of D-xylose and xylitol with D-xylose isomerase. Characterization of metal-enzyme-substrate interactions

Journal of Biological Chemistry ◽

10.1016/s0021-9258(19)40688-1 ◽

1975 ◽

Vol 250 (23) ◽

pp. 9021-9027

Author(s):

JM Young ◽

KJ Schray ◽

AS Mildvan

Keyword(s):

Magnetic Relaxation ◽

Xylose Isomerase ◽

Substrate Interactions ◽

Enzyme Substrate ◽

Proton Magnetic Relaxation ◽

Relaxation Studies ◽

A new proposal for the primary and secondary structure of the glycan moiety of pseudomurein. Conformational energy calculations on the glycan strands with talosaminuronic acid in 1C conformation and comparison with murein

European Journal of Biochemistry ◽

10.1111/j.1432-1033.1984.tb08461.x ◽

1984 ◽

Vol 144 (2) ◽

pp. 279-286 ◽

Cited By ~ 10

Author(s):

Bernd LEPS ◽

Harald LABISCHINSKI ◽

Gerhard BARNICKEL ◽

Hans BRADACZEK ◽

Peter GIESBRECHT

Keyword(s):

Secondary Structure ◽

Conformational Energy ◽

Energy Calculations ◽