cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.11588/data/aa3uaq/0kkhmg
title: Lys_uncharged_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/6hwzzu
title: AceNme_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/axfwme
title: Asp_uncharged_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/dxnwub
title: Lys_charged_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ugkbtz
title: c-1para_meta2_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/wtwq1m
title: Val_gamma_two_three_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/9xxfmk
title: Ile_gammaEttwoe_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/aatq5c
title: hyp_cis_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/e1qpyg
title: Glu_uncharged_carboxy_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/snpvgn
title: Phe_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/sz7ioz
title: hyp_cis_pyrr3_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/2zelea
title: Leu_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/6zxmnc
title: benzene_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ggudnw
title: pro_cis_pyrr3_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/idlpcm
title: Leu_delta_two_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/1cxxzz
title: Arg_gamma_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/dihkmg
title: Hyp_trans_pyrr5_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/gfo42s
title: dopa_c0_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/l3phi4
title: Lys_uncharged_epsilon_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/rokdzf
title: pro_cis_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/3zl7p0
title: methanethiol_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/bu9ufl
title: His_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/dxyxfn
title: hyp_cis_pyrr5_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/frdinq
title: Hyp_trans_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/rihear
title: Met_gamma_one_opposite_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/rxs74o
title: Arg_four_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/2gotot
title: Gln_gamma_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/9ln2zg
title: ethylamine_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/eqbo2b
title: Val_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/iq5yza
title: Leu_gamma_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ql7xxy
title: His_alpha_otherway_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/tn1vbu
title: Hyl_charged_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/2sdcxg
title: Gln_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/5g1fqz
title: Trp_indol7_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/okc9gy
title: Ser_beta_onO_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/uvz2ap
title: AceNme_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/vyojgd
title: His_imidazole1_oneway_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/bialtu
title: methylamine_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/eyef2z
title: Asp_charged_opposite_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/gla9rl
title: c0ortho2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/udkris
title: Hyl_charged_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/zb2vcy
title: Pro_trans_pyrr4_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/zc04df
title: His_imidazole2_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/3cxoqv
title: Cys_sulphur_distorted_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/l1zgqk
title: Glu_uncharged_carboxy_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/rll9hp
title: Pro_trans_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/t1dgmr
title: tyr_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/xaqcdu
title: Nterminus_charged_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/9eh8sk
title: Arg_uncharged_delta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hhda46
title: Ile_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/wn83fw
title: Arg_uncharged_gamma_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/x7ubba
title: methanol_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/xp8oez
title: dopa_c-1para_abeta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/3ov0sr
title: nmf_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/cld7sy
title: His_imidazole3_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/org55d
title: AceNme_beta_three_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/qraqkc
title: Gln_gamma_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/r5pqor
title: c0hydroxy_para_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/zlxwsb
title: Val_beta_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/b4f9eh
title: Lys_charged_amine_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/bevlqe
title: Met_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/dupd2f
title: Hyl_uncharged_epsilon_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/kfil6z
title: formamide_rad_one_oneway_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/rtw2dl
title: Arg_delta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/b0kuw1
title: Ile_gammaMe_three.log

description: :unav
DOI: 10.11588/data/aa3uaq/mkz7b1
title: Glu_charged_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/w1xzpi
title: propane_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/xypqlc
title: formic_acid_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/1y5goe
title: ethylbenzene_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/svvehq
title: Ile_beta.log

description: :unav
DOI: 10.11588/data/aa3uaq/u4hap8
title: formamide_rad_one_opposite_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/uzuddl
title: AceNme_MeCterm_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/x8ixtj
title: ethylamine_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/bixthl
title: tbu_amine_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/jg4q6j
title: Asp_charged_opposite_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/vny0m9
title: methanol_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/wn5yzi
title: Val_gamma_one_three_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/z4tz7a
title: Ile_gammaEttwoe.com

description: :unav
DOI: 10.11588/data/aa3uaq/4us7xu
title: nma_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/84cyry
title: ethane_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/lqboqe
title: Ile_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/maheho
title: formamide_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/p6bbqm
title: tbu_amine.com

description: :unav
DOI: 10.11588/data/aa3uaq/f10gyk
title: Leu_gamma_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/lkdqh8
title: ethanethiol_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/rhqlt5
title: acetamide.com

description: :unav
DOI: 10.11588/data/aa3uaq/tgx9iw
title: Ser_beta_onO_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/zf2znp
title: Hatom.com

description: :unav
DOI: 10.11588/data/aa3uaq/emb4ta
title: Asp_uncharged_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/i8zmaj
title: Ile_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/lz0pgq
title: Glu_uncharged_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/nswb6q
title: energies.csv

description: :unav
DOI: 10.11588/data/aa3uaq/sntgtw
title: propane_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/sywgpd
title: ethanethiol_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/3e7ada
title: Cys_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/h2usxh
title: isopropanol_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/mpqv5a
title: tbu_amine_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/rgrojh
title: Gly_AceNme.com

description: :unav
DOI: 10.11588/data/aa3uaq/sp2six
title: Asp_uncharged_beta_one_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/vgqztv
title: Asp_charged_opposite_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/g84e5z
title: phenol.com

description: :unav
DOI: 10.11588/data/aa3uaq/kfcxv6
title: methane_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/lctncb
title: phenol_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/naxwli
title: formic_acid_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/pwfqxp
title: nmf.log

description: :unav
DOI: 10.11588/data/aa3uaq/hey0k0
title: methanol_onO.com

description: :unav
DOI: 10.11588/data/aa3uaq/k2ynvm
title: phenol_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/mnd6da
title: Leu_gamma_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/qhsdfp
title: methylamine_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/qrlmky
title: methanol.com

description: :unav
DOI: 10.11588/data/aa3uaq/4ahauz
title: phenol_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/7qtd5j
title: methanethiol_onS_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/fzvhzn
title: Gln_alpha.com

description: :unav
DOI: 10.11588/data/aa3uaq/lqxlcd
title: isopropanol_onC_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/utas7r
title: ala_pure_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/3m1liw
title: isobutane.log

description: :unav
DOI: 10.11588/data/aa3uaq/bc2ohr
title: methanimine_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hnywi4
title: Thr_gamma_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/kzaocy
title: methane_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/3ofc02
title: formamide_rad_one_opposite.com

description: :unav
DOI: 10.11588/data/aa3uaq/4hup29
title: Gly_AceNme.log

description: :unav
DOI: 10.11588/data/aa3uaq/78lpym
title: isopropanol_onO_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/pwkubr
title: ala_alpha.log

description: :unav
DOI: 10.11588/data/aa3uaq/qdd6xe
title: ethylbenzene_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/4feccn
title: acetamide_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/58mevs
title: formamide_rad_one_oneway.log

description: :unav
DOI: 10.11588/data/aa3uaq/fp9kdu
title: nma.log

description: :unav
DOI: 10.11588/data/aa3uaq/nkjpxb
title: Val_beta_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/nvxijr
title: Gly.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/uavglr
title: Ile_alpha.log

description: :unav
DOI: 10.11588/data/aa3uaq/eompc8
title: methanethiol.com

description: :unav
DOI: 10.11588/data/aa3uaq/gmpiuk
title: Gln_beta_two.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/gzv4vu
title: ala_pure_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/h4etpk
title: Val_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/ltg0sf
title: Asp_uncharged_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/cxmcz8
title: methylamine_onN_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/d37lfz
title: formic_acid_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/e1ipvu
title: ala_pure_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/frvr75
title: isopropanol_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/tfv3j7
title: Glu_uncharged_gamma_two.com

description: :unav
DOI: 10.11588/data/aa3uaq/2xgnno
title: Ile_beta.com

description: :unav
DOI: 10.11588/data/aa3uaq/6bcdlg
title: Asn_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/eyxx6t
title: Asp_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/fwooa6
title: Leu_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/lrfrxv
title: nma_rad.log

description: :unav
DOI: 10.11588/data/aa3uaq/1hsrkz
title: nmf_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/dbwq3q
title: Gln_alpha.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/mirhrj
title: Val_beta_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/rt8t9z
title: Glu_charged_gamma_two.com

description: :unav
DOI: 10.11588/data/aa3uaq/ul4pwt
title: ethylbenzene_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/wfufyb
title: methanethiol_onS.log

description: :unav
DOI: 10.11588/data/aa3uaq/eo594e
title: methanethiol_onC.com

description: :unav
DOI: 10.11588/data/aa3uaq/esovsc
title: methanol_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/go0lit
title: Glu_uncharged_alpha_opposite.com

description: :unav
DOI: 10.11588/data/aa3uaq/mcgyqt
title: formic_acid_rad.log

description: :unav
DOI: 10.11588/data/aa3uaq/zaxpa0
title: Ser_beta_onO_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/430kuj
title: AceNme_MeNterm_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/6rmlwc
title: Leu_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hkpsh1
title: AceNme_NNterm_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/jawzf7
title: Gln_gamma_one.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/o7tceg
title: dma_rad.log

description: :unav
DOI: 10.11588/data/aa3uaq/5k0p1i
title: nmf_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/gh5ore
title: formamide_rad_two.log

description: :unav
DOI: 10.11588/data/aa3uaq/rnglqy
title: Asn_amide_one.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/vwuabs
title: Glu_charged_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/z2cyhf
title: ethylamine_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/aggmvg
title: nmf.com

description: :unav
DOI: 10.11588/data/aa3uaq/csu698
title: methane.log

description: :unav
DOI: 10.11588/data/aa3uaq/hdmoqh
title: ala_alpha.com

description: :unav
DOI: 10.11588/data/aa3uaq/sigjdf
title: Leu_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/a0qrm6
title: isobutane_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/abp1ri
title: isopropanol_onO_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/nrhs6u
title: methanethiol_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/v7qefv
title: Thr_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/w1jhhd
title: Leu_delta_two_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/34oq0v
title: Leu_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/do6nge
title: methanol_onC.log

description: :unav
DOI: 10.11588/data/aa3uaq/jslm0s
title: nmf_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/n1pqw0
title: Gly_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/sro5i1
title: Thr_beta_onC_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/txggja
title: Thr_alpha_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/dxothv
title: methanethiol_onS_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ijj9xb
title: formamide_rad_one_oneway_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ilahcr
title: Glu_charged_alpha.com

description: :unav
DOI: 10.11588/data/aa3uaq/klvswo
title: formamide_rad_one_oneway_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/osisaw
title: Glu_charged_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/7pgisf
title: Thr_beta_onO_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/fba5up
title: methanol_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/nvkehh
title: methanimine_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/sosszs
title: formic_acid_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/thglin
title: Thr_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/4ieu2w
title: Cys_sulphur_distorted_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/d6znmv
title: AceNme_beta_three_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/nb1b0i
title: Glu_charged_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/o5o7ur
title: Gln_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/v2mtwt
title: Cys_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/1uh5bn
title: Asn_amide_one.com

description: :unav
DOI: 10.11588/data/aa3uaq/9w2yjp
title: methanol_onO_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/dbfayn
title: nmf_rad.log

description: :unav
DOI: 10.11588/data/aa3uaq/io5mp6
title: pyrrol.com

description: :unav
DOI: 10.11588/data/aa3uaq/yvxvpu
title: propane_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/kinaya
title: Ala_AceNme_alpha.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/myxq4y
title: formamide_rad_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ttg2ot
title: pyrrol_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/x9jyjy
title: Thr_beta_onC_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/3dvb9n
title: nma_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/rwbo5w
title: ethanethiol.log

description: :unav
DOI: 10.11588/data/aa3uaq/vksoj8
title: Ile_gammaEttwoe.log

description: :unav
DOI: 10.11588/data/aa3uaq/winw73
title: methylamine_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/x9htbs
title: pyrrol.log

description: :unav
DOI: 10.11588/data/aa3uaq/1luaz2
title: benzene_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/6szd9e
title: formamide_rad_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/mfag8d
title: Gln_gamma_one.com

description: :unav
DOI: 10.11588/data/aa3uaq/txytqv
title: tbu_amine_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/0yo6vg
title: ethylbenzene.com

description: :unav
DOI: 10.11588/data/aa3uaq/hpr7jw
title: AceNme_MeNterm_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/tjwl2g
title: Glu_uncharged_gamma_two.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/wj2xav
title: Gln_gamma_one.log

description: :unav
DOI: 10.11588/data/aa3uaq/z4cist
title: methylamine_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/4hpecj
title: Gln_alpha.log

description: :unav
DOI: 10.11588/data/aa3uaq/fbk7zo
title: ethanol_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/jui0db
title: Gly.com

description: :unav
DOI: 10.11588/data/aa3uaq/jxfjab
title: Thr_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/qer7ty
title: isobutane_rad.log

description: :unav
DOI: 10.11588/data/aa3uaq/xzqq5h
title: AceNme_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/dcl0n9
title: ethanethiol.com

description: :unav
DOI: 10.11588/data/aa3uaq/i5mfsh
title: Glu_charged_gamma_two.log

description: :unav
DOI: 10.11588/data/aa3uaq/i9utyv
title: phenol_rad.log

description: :unav
DOI: 10.11588/data/aa3uaq/ozt4i6
title: benzene.com

description: :unav
DOI: 10.11588/data/aa3uaq/zjol5c
title: ethanol.com

description: :unav
DOI: 10.11588/data/aa3uaq/9vascp
title: formic_acid_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/mhpytl
title: Ile_alpha.com

description: :unav
DOI: 10.11588/data/aa3uaq/nlatrt
title: Ser_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/zeidtb
title: ethylamine_rad.log

description: :unav
DOI: 10.11588/data/aa3uaq/clc1kc
title: Ala_AceNme_alpha.log

description: :unav
DOI: 10.11588/data/aa3uaq/iko4b8
title: ethanethiol_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ppjphd
title: Leu_alpha.com

description: :unav
DOI: 10.11588/data/aa3uaq/uet4l8
title: Ile_delta_three_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/xfa8lu
title: ethane_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/bnbutf
title: ethylbenzene_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/f1rhuf
title: Thr_beta_onO_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/ff7iym
title: Ser_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/gcnzdz
title: pyrrol_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/sivrtn
title: Gly.log

description: :unav
DOI: 10.11588/data/aa3uaq/1wwtyq
title: Ser_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/aff41f
title: Hatom.log

description: :unav
DOI: 10.11588/data/aa3uaq/evpgo9
title: ala_pure_rad.log

description: :unav
DOI: 10.11588/data/aa3uaq/irakxe
title: isobutane_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/s0iksj
title: methanethiol_onC_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/zrs8i1
title: nmf_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/7f47pp
title: Asp_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/a29tft
title: Ala_AceNme.log

description: :unav
DOI: 10.11588/data/aa3uaq/cjls2i
title: ala_pure.log

description: :unav
DOI: 10.11588/data/aa3uaq/mblaer
title: methanethiol_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/us7r0f
title: methanimine_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/0bmmgl
title: methylamine_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/dawrwa
title: Gln_amide_one.com

description: :unav
DOI: 10.11588/data/aa3uaq/nanoak
title: acetamide_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/nmal5x
title: G4_BDEs.tab

description: :unav
DOI: 10.11588/data/aa3uaq/vtxip7
title: dma.log

description: :unav
DOI: 10.11588/data/aa3uaq/7gwaal
title: Glu_uncharged_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/pehnbv
title: tbu_amine_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/tf8ooc
title: methane_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/wylgw2
title: Asp_uncharged_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/x7djlr
title: dma_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/74i6z9
title: Glu_uncharged_alpha_opposite.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/f3b84p
title: propane_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hguve6
title: ethanol_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/kl8pzf
title: ala_pure.com

description: :unav
DOI: 10.11588/data/aa3uaq/qsimpg
title: AceNme_NCterm_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/5spcw5
title: ethane_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/jkq6i0
title: Val_alpha_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/nzfutc
title: methanethiol_onC_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/prmtve
title: Ala_AceNme.com

description: :unav
DOI: 10.11588/data/aa3uaq/r7ogxp
title: Glu_uncharged_beta_one_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/jekuan
title: methane_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/mu0qxc
title: ethylbenzene_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/qlvmg4
title: methanethiol_onS_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/tqpz64
title: isopropanol_onO_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/vetevt
title: AceNme_NCterm_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/7rh48j
title: Gln_amide_one.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/botsag
title: Hatom_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/plqr17
title: Ser_beta_onC_two_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/pnxps9
title: ethanol_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/uy1fhl
title: isobutane_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/00lt7l
title: pyrrol_rad.log

description: :unav
DOI: 10.11588/data/aa3uaq/fwpyg8
title: benzene_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/iv3hq8
title: methanimine_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/jf9ax8
title: Val_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/un9qp9
title: ala_pure_rad.com

description: :unav
DOI: 10.11588/data/aa3uaq/8qac7h
title: AceNme_MeNterm_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/fljqlf
title: isopropanol_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/hbgtem
title: Asn_alpha_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/mbmwv1
title: nma_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/p7v613
title: Cys_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/gepy5k
title: methanethiol_onC.log

description: :unav
DOI: 10.11588/data/aa3uaq/hde5gy
title: Ile_gammaMe_three.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/kuizqe
title: ethylbenzene_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ugafm6
title: formamide_rad_one_opposite.log

description: :unav
DOI: 10.11588/data/aa3uaq/wwlefq
title: formamide_rad_two.com

description: :unav
DOI: 10.11588/data/aa3uaq/x5l329
title: methanimine_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ajjv8r
title: methanimine.log

description: :unav
DOI: 10.11588/data/aa3uaq/eion19
title: Gly_rad_oneway_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/g6pg8p
title: methanimine_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/pixxv5
title: Ser_beta_onC_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/wfizok
title: ala_pure.com

description: :unav
DOI: 10.11588/data/aa3uaq/wyz6fv
title: Leu_delta_two_two_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/1qiml7
title: Asp_uncharged_carboxy_oneway_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hxvvzx
title: AceNme_MeCterm_1.com

description: :unav
DOI: 10.11588/data/aa3uaq/kgsdsa
title: Ile_gammaMe_three.com

description: :unav
DOI: 10.11588/data/aa3uaq/lxlvph
title: AceNme_1.xyz

description: :unav