| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/solv/ |
| H A D | apbs-mol.in | 2 ### ELECTROSTATIC ENERGY FOR METHANOL -> METHOXIDE IONIZATION
14 # METHANOL SOLVATION ENERGY -- SOLVATED STATE
37 # METHANOL SOLVATION ENERGY -- REFERENCE STATE
|
| H A D | apbs-smol.in | 2 ### ELECTROSTATIC ENERGY FOR METHANOL -> METHOXIDE IONIZATION
14 # METHANOL SOLVATION ENERGY -- SOLVATED STATE
37 # METHANOL SOLVATION ENERGY -- REFERENCE STATE
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/matlab/solver/Examples/Meth/ |
| H A D | meth.in | 2 ### ELECTROSTATIC ENERGY FOR METHANOL -> METHOXIDE IONIZATION
14 # METHANOL SOLVATION ENERGY -- SOLVATED STATE
44 # METHANOL SOLVATION ENERGY -- REFERENCE STATE
|
| /dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/ |
| H A D | 1ek8_dem.sdf | 88 DECYLOXY-METHANOL
|
| H A D | 1qv6_24b.sdf | 77 (2,4-DIFLUOROPHENYL)METHANOL
|
| H A D | 2ai8_sb7.sdf | 89 [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL
|
| H A D | 2g70_hnt.sdf | 99 [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL
|
| H A D | 1ecc_pcp.sdf | 125 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE
|
| H A D | 1kz8_pfe.sdf | 160 {4-[3-(6,7-DIETHOXY-QUINAZOLIN-4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-METHANOL
|
| H A D | 2ym5_ym5.sdf | 140 (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL
|
| H A D | 1suq_185.sdf | 155 …-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL
|
| H A D | 2hog_710.sdf | 170 (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL
|
| H A D | 4a16_h34.sdf | 161 …RO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL
|
| H A D | 4avj_j73.sdf | 147 METHANOL TRIAZOL ETHYL PHENYL 1O-ALPHA-D-MANNOPYRANOSIDE
|
| H A D | 2xvd_as6.sdf | 184 …THYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL
|
| H A D | 4v24_gyr.sdf | 172 {(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL
|
| /dports/games/uqm/uqm-0.8.0/src/uqm/planets/ |
| H A D | elemdata.h | 158 METHANOL, enumerator
|
| /dports/science/tinker/tinker/test/ |
| H A D | 0README | 80 (16) METHANOL process distributed multipole analysis (DMA) output
|
| /dports/science/tinker/tinker/doc/sphinx/tinker/text/ |
| H A D | test-cases.rst | 62 **METHANOL Test**
|
| /dports/biology/ugene/ugene-40.1/src/plugins_3rdparty/gor4/datafiles/ |
| H A D | New_KS.267.seq | 1638 !3AAHa METHANOL DEHYDROGENASE (E.C.1. OXIDOREDUCTASE(PQQ(A)-CHOH(D)) 571
1651 !3AAHb METHANOL DEHYDROGENASE (E.C.1. OXIDOREDUCTASE(PQQ(A)-CHOH(D)) 57
|
| H A D | New_KS.267.obs | 1638 !3AAHa METHANOL DEHYDROGENASE (E.C.1. OXIDOREDUCTASE(PQQ(A)-CHOH(D)) 571
1651 !3AAHb METHANOL DEHYDROGENASE (E.C.1. OXIDOREDUCTASE(PQQ(A)-CHOH(D)) 57
|
| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/Doc/ |
| H A D | Solvent.tex | 72 \verb|METHANOL|. See Section~\ref{subsec:pcm} for a complete list of
|
| /dports/games/uqm/uqm-0.8.0/src/uqm/ |
| H A D | plandata.c | 1208 {METHANOL, MEDIUM_USEFUL},
|
| /dports/science/gromacs/gromacs-2021.4/share/top/oplsaa.ff/ |
| H A D | atomtypes.atp | 97 opls_080 15.03500 ; CH3 IN METHANOL JPC,90,1276 (1986)
|
| /dports/science/mmtf-cpp/mmtf-cpp-1.0.0/mmtf_spec/ |
| H A D | spec.md | 754 "description": "METHANOL",
|