Počet záznamů: 1
Multilevel Fragment-Based Approach (MFBA): A Novel Hybrid Computational Method for the Study of Large Molecules
SYS 0352237 LBL 01683^^^^^2200277^^^450 005 20240103194415.1 014 $a 000274757000010 $2 WOS 017 $a 10.1021/ct900413s $2 DOI 100 $a 20101220d m y slo 03 ba 101 0-
$a eng $d eng 102 $a US 200 1-
$a Multilevel Fragment-Based Approach (MFBA): A Novel Hybrid Computational Method for the Study of Large Molecules 215 $a 9 s. 463 -1
$1 001 cav_un_epca*0039629 $1 011 $a 1549-9618 $e 1549-9626 $1 200 1 $a Journal of Chemical Theory and Computation $v Roč. 6, č. 1 (2010), s. 91-99 $1 210 $c American Chemical Society 610 0-
$a fragmentation 610 0-
$a linear scaling 610 0-
$a QM/MM 700 -1
$3 cav_un_auth*0233069 $a Řezáč $b Jan $i Nekovalentní interakce $j Non-Covalent Interactions $k 610/61 $l 610/61 $p UOCHB-X $w Molecular modeling and spectroscopy in chemistry and biology $z G $4 070 $T Ústav organické chemie a biochemie AV ČR, v. v. i. 701 -1
$3 cav_un_auth*0226855 $a Salahub $b D. R. $y CA $4 070
Počet záznamů: 1