<p>(A) CDK2 bound with cis-OH (green) and cis-N-acetyl (red); (B) similar CDK5 complexes. Residue-level decomposition of the total energy is also included.</p
The rational development of specific inhibitors for the 500 protein kinases encoded in the human gen...
The rational development of specific inhibitors for the ~500 protein kinases encoded in the human ge...
AbstractWe report a combined quantum mechanics/molecular mechanics (QM/MM) study to determine the pr...
<p>For clarity, only the inhibitors and the adjacent protein residues are shown: (A) cis-OH bound CD...
<p>All energy values are in kcal/mol and ΔΔG<sub>Nacetyl-OH</sub> = ΔG<sub>Nacetyl</sub>−ΔG<sub>OH</...
Publicación ISIWe report a theoretical study on a series of CDK2 inhibitors using a set of global re...
Publicación ISIWe report a theoretical study on a series of CDK2 inhibitors using a set of global re...
CDK2 can be used as an attractive target for development of efficient inhibitors curing multiple dis...
SummaryThe cyclin-dependent kinases (CDKs) have been characterized in complex with a variety of inhi...
<p>Results are shown for (A) CDK2 and (B) CDK5 complexes. Highly fluctuating regions are labelled: (...
We report a combined quantum mechanics/molecular mechanics (QM/MM) study to determine the protein-li...
AbstractWe report a combined quantum mechanics/molecular mechanics (QM/MM) study to determine the pr...
The rational development of specific inhibitors for the ~500 protein kinases encoded in the human ge...
<p>The interaction energy scores for the derivatives of CPT and hCPT were subtracted from the score ...
<p>Potential maps are generated for cis-N-acetyl bound (A) CDK2 (B) CDK5 (C) CDK2:L83C mutant, and (...
The rational development of specific inhibitors for the 500 protein kinases encoded in the human gen...
The rational development of specific inhibitors for the ~500 protein kinases encoded in the human ge...
AbstractWe report a combined quantum mechanics/molecular mechanics (QM/MM) study to determine the pr...
<p>For clarity, only the inhibitors and the adjacent protein residues are shown: (A) cis-OH bound CD...
<p>All energy values are in kcal/mol and ΔΔG<sub>Nacetyl-OH</sub> = ΔG<sub>Nacetyl</sub>−ΔG<sub>OH</...
Publicación ISIWe report a theoretical study on a series of CDK2 inhibitors using a set of global re...
Publicación ISIWe report a theoretical study on a series of CDK2 inhibitors using a set of global re...
CDK2 can be used as an attractive target for development of efficient inhibitors curing multiple dis...
SummaryThe cyclin-dependent kinases (CDKs) have been characterized in complex with a variety of inhi...
<p>Results are shown for (A) CDK2 and (B) CDK5 complexes. Highly fluctuating regions are labelled: (...
We report a combined quantum mechanics/molecular mechanics (QM/MM) study to determine the protein-li...
AbstractWe report a combined quantum mechanics/molecular mechanics (QM/MM) study to determine the pr...
The rational development of specific inhibitors for the ~500 protein kinases encoded in the human ge...
<p>The interaction energy scores for the derivatives of CPT and hCPT were subtracted from the score ...
<p>Potential maps are generated for cis-N-acetyl bound (A) CDK2 (B) CDK5 (C) CDK2:L83C mutant, and (...
The rational development of specific inhibitors for the 500 protein kinases encoded in the human gen...
The rational development of specific inhibitors for the ~500 protein kinases encoded in the human ge...
AbstractWe report a combined quantum mechanics/molecular mechanics (QM/MM) study to determine the pr...
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