high-level bfgs algorithm (TURBOMOLE GmbH)
90
Structured Review
TURBOMOLE GmbH
high-level bfgs algorithm
High Level Bfgs Algorithm, supplied by TURBOMOLE GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/bfgs+algorithm/high+level+bfgs+algorithm/pm18975888-85-11-21
Average 90 stars, based on 1 article reviews
High Level Bfgs Algorithm, supplied by TURBOMOLE GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/bfgs+algorithm/high+level+bfgs+algorithm/pm18975888-85-11-21
Average 90 stars, based on 1 article reviews
high-level bfgs algorithm - by Bioz Stars,
2026-09
90/100 stars
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Functional Assay:Article Title: Interpretation of protein/ligand crystal structure using QM/MM calculations: case of HIV-1 protease/metallacarborane complex. Article Snippet: Deltahedral metallacarborane compounds have recently been discovered as potent, specific, stable, and nontoxic inhibitors of HIV-1 protease (PR), the major target for AIDS therapy.. The 2.15 Å-resolution X-ray structure has exhibited a nonsymmetrical binding of the parental compound [Co-(C2B9H11)2] (GB-18) into PR dimer and a symmetrical arrangement in the crystal of two PR dimer complexes into a tetramer.. In order to explore structural and energetic details of the inhibitor binding, quantum mechanics coupled with molecular mechanics approach was utilized. Dispersion:Article Title: Interpretation of protein/ligand crystal structure using QM/MM calculations: case of HIV-1 protease/metallacarborane complex. Article Snippet: Deltahedral metallacarborane compounds have recently been discovered as potent, specific, stable, and nontoxic inhibitors of HIV-1 protease (PR), the major target for AIDS therapy.. The 2.15 Å-resolution X-ray structure has exhibited a nonsymmetrical binding of the parental compound [Co-(C2B9H11)2] (GB-18) into PR dimer and a symmetrical arrangement in the crystal of two PR dimer complexes into a tetramer.. In order to explore structural and energetic details of the inhibitor binding, quantum mechanics coupled with molecular mechanics approach was utilized. |