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Benchmarking of Semiempirical Quantum-Mechanical Methods on Systems Relevant to Computer-Aided Drug Design
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$a 10.1021/acs.jcim.9b01171 $2 DOI 100 $a 20200416d m y slo 03 ba 101 $a eng $d eng 102 $a US 200 1-
$a Benchmarking of Semiempirical Quantum-Mechanical Methods on Systems Relevant to Computer-Aided Drug Design 215 $a 8 s. 463 -1
$1 001 cav_un_epca*0039424 $1 011 $a 1549-9596 $e 1549-960X $1 200 1 $a Journal of Chemical Information and Modeling $v Roč. 60, č. 3 (2020), s. 1453-1460 $1 210 $c American Chemical Society 608 $a Article 610 $a protein-ligand complexes 610 $a interaction energies 610 $a NDDO approximations 700 -1
$3 cav_un_auth*0366273 $4 070 $a Kříž $b Kristian $p UOCHB-X $i Nekovalentní interakce $j Non-Covalent Interactions $k 610/61 $l 610/61 $y CZ $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0233069 $4 070 $a Řezáč $b Jan $p UOCHB-X $i Nekovalentní interakce $j Non-Covalent Interactions $k 610/61 $l 610/61 $w Molecular modeling and spectroscopy in chemistry and biology $z K $T Ústav organické chemie a biochemie AV ČR, v. v. i. 856 $9 RIV $u https://pubs.acs.org/doi/10.1021/acs.jcim.9b01171
Number of the records: 1