Calculations based on three PLpro-inhibitor complexes (PDB ID: 7jn2, 7jrn and 7d7t). (XLSX)</p
a<p> Calculated binding energies do not include entropy term.</p><p>Predicted relative MM-GBSA free ...
Quantum mechanical semiempirical comparative binding energy analysis calculations have been carried ...
a<p>All energies are in kcal·mol<sup>−1</sup>,</p>b<p>ΔEnergy = Energy<sup>complex</sup>–Energy<sup>...
For each PLpro-inhibitor complex, the first column shows mutation energy, which is the difference of...
(A) Location of amino acids subject to mutation relative to the ligand (S43) binding site (based on ...
The rates of mutations of these residues are presented in Table 1, along with the residues they are ...
Left: Location of amino acids subject to mutation relative to the ligand (GRL-0617) binding site (ba...
Drug resistance is a major challenge for the treatment of many diseases and a significant concern th...
Drug resistance is a major challenge for the treatment of many diseases and a significant concern th...
AbstractWe have studied the effect of point mutations of the primary binding residue (P1) at the pro...
Drug resistance of mutations in HIV-1 protease (PR) is the most severe challenge to the long-term ef...
Drug resistance of mutations in HIV-1 protease (PR) is the most severe challenge to the long-term ef...
The calculations are based on MMGBSA method. The trajectories in which the ligand dissociated from t...
Mutations that lead to drug resistance limit the efficacy of antibiotics, antiviral drugs, targeted ...
<p>Computed binding energies (kcal/mol) of WT and mutant HIV-1 proteases in complex with RTp51-RTp66...
a<p> Calculated binding energies do not include entropy term.</p><p>Predicted relative MM-GBSA free ...
Quantum mechanical semiempirical comparative binding energy analysis calculations have been carried ...
a<p>All energies are in kcal·mol<sup>−1</sup>,</p>b<p>ΔEnergy = Energy<sup>complex</sup>–Energy<sup>...
For each PLpro-inhibitor complex, the first column shows mutation energy, which is the difference of...
(A) Location of amino acids subject to mutation relative to the ligand (S43) binding site (based on ...
The rates of mutations of these residues are presented in Table 1, along with the residues they are ...
Left: Location of amino acids subject to mutation relative to the ligand (GRL-0617) binding site (ba...
Drug resistance is a major challenge for the treatment of many diseases and a significant concern th...
Drug resistance is a major challenge for the treatment of many diseases and a significant concern th...
AbstractWe have studied the effect of point mutations of the primary binding residue (P1) at the pro...
Drug resistance of mutations in HIV-1 protease (PR) is the most severe challenge to the long-term ef...
Drug resistance of mutations in HIV-1 protease (PR) is the most severe challenge to the long-term ef...
The calculations are based on MMGBSA method. The trajectories in which the ligand dissociated from t...
Mutations that lead to drug resistance limit the efficacy of antibiotics, antiviral drugs, targeted ...
<p>Computed binding energies (kcal/mol) of WT and mutant HIV-1 proteases in complex with RTp51-RTp66...
a<p> Calculated binding energies do not include entropy term.</p><p>Predicted relative MM-GBSA free ...
Quantum mechanical semiempirical comparative binding energy analysis calculations have been carried ...
a<p>All energies are in kcal·mol<sup>−1</sup>,</p>b<p>ΔEnergy = Energy<sup>complex</sup>–Energy<sup>...
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