cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.11588/data/aa3uaq/k0dmxy
title: c-1hydroxy_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/k6f1eg
title: Arg_delta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/lw2ell
title: Hyl_uncharged_amine_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/tsszyj
title: Ile_gammaMe_three_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/75fgam
title: Hyl_uncharged_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/e38h5h
title: methylamine_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/mfp5jm
title: dma_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/n2bsai
title: His_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/oglms2
title: Lys_charged_gamma_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/zuwt1q
title: Lys_uncharged_delta_one_distorted_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/05fhzr
title: His_imidazole1_oneway_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/3evegp
title: Glu_charged_beta_two_opposite_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/8ssamp
title: Arg_uncharged_delta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/iajwkr
title: Met_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/nrzgtc
title: c0hydroxy_meta_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/gkx4tb
title: dimethylamine

description: :unav
DOI: 10.11588/data/aa3uaq/j8ccxr
title: Phe_metaC_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ohbteq
title: ala_pure_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/rfizys
title: tyr_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/xx8voq
title: Phe_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/zt5jel
title: c-1para_ortho1_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/dh9d8i
title: ethane_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/efhmns
title: Gln_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/qepfcz
title: Hyl_charged_gamma_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/rqcolz
title: backbone_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/5z9bbj
title: Phe_para_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/bzkhhe
title: formamide_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/itucvi
title: Lys_uncharged_gamma_one_oneway_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/k4yue8
title: dma_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/m33qri
title: Trp_indol1_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/wgjoqr
title: Hyl_uncharged_delta_onC_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/6yaaeh
title: Glu_charged_gamma_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/gius86
title: ala_pure_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/izhfrq
title: Tyr_ortho_N_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/vjbor4
title: Tyr_meta_N_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/wxhpwv
title: c-1para_ortho1_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/yrqesw
title: methylamine_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/kvyuha
title: Ser_beta_onC_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/kybz8z
title: transitionstate

description: :unav
DOI: 10.11588/data/aa3uaq/mnui0s
title: Nterminus_charged_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/wqts7h
title: Trp_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/xmdute
title: c-1meta_meta2_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/e1jccs
title: nmf_rad_1.xyz

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

description: :unav
DOI: 10.11588/data/aa3uaq/mrwevq
title: Asn_amide_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/oz0lpj
title: methanethiol_onS_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/s6ch8l
title: AceNme_MeCterm_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/tskvr2
title: Ile_gammaMe_three_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/gkf8l8
title: hyp_cis_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/j4avpf
title: Lys_charged_gamma_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/mhvpk6
title: backbone_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/pplgt5
title: hyp_cis_pyrr2_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/rfzvnk
title: Leu_gamma_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/uq98hz
title: ethanol_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/7wrhdx
title: Hyp_trans_pyrr2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/hqff4d
title: Leu_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/qrqw4t
title: hyp_cis_pyrr2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/spp25o
title: Val_gamma_one_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/vbx2hf
title: formamide_rad_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/0bvzgh
title: dopa_c-1para_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/1noy80
title: Hyp_trans_pyrr4_onO_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/6qfwro
title: Phe_para_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/dzevgk
title: Glu_uncharged_alpha_opposite_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/eslbah
title: Lys_uncharged_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/i8pxok
title: formamide_rad_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/iungn8
title: Asn_amide_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/umbpwh
title: Hyl_charged_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/w2t0lc
title: Glu_uncharged_gamma_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/0b4msp
title: formamide_rad_one_opposite_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/4s4efx
title: Arg_uncharged_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/h40raf
title: Trp_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/jtdauj
title: Phe_orthoN_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/juz4tq
title: hyp_cis_pyrr4_onO_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/hwqchj
title: Glu_uncharged_beta_two_1.pdb

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

description: :unav
DOI: 10.11588/data/aa3uaq/vcrt0o
title: pyrrol_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/wgb5ap
title: dopa_c0_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/zarc4b
title: Glu_uncharged_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/jst25h
title: Trp_indol2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/mhj09m
title: Glu_uncharged_beta_one_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/qnvavd
title: Hyl_charged_delta_onC_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/qzodtj
title: Lys_charged_amine_three_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/3yimeh
title: isobutane_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/dfp5vk
title: methylamine_onN_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/qvm8mz
title: c-1para_ortho2_opposite_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/rveynd
title: dopa_c-1para_abeta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/zyv3gb
title: Gln_amide_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/8q4yko
title: Hyp_trans_pyrr3_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/akmtvy
title: Glu_charged_gamma_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/apzhme
title: Gln_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/skeai4
title: formamide_rad_one_oneway_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/yzb1bg
title: Leu_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/5lakmk
title: His_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/bqdyrm
title: Hyl_charged_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/iqt7cw
title: Trp_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/l2esza
title: His_imidazole1_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/wzwpew
title: Asp_charged_opposite_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/y4sjyq
title: Lys_uncharged_epsilon_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/d5xd6v
title: tyr_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/fhtxg7
title: AceNme_NCterm_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/iwdofe
title: acetamide_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/xru1hn
title: Pro_trans_pyrr2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/zrruwn
title: His_imidazole4_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/gwprns
title: Arg_three_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/h9sjay
title: methane_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/hsixzb
title: c0ortho1_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/xiigot
title: dopa_c-1meta_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/xlnj8y
title: His_imidazole3_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/lcvhf1
title: Hyl_uncharged_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/pfz2vh
title: Cterminus_charged_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/wesm7b
title: Lys_uncharged_delta_one_distorted_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/wicek7
title: Arg_uncharged_beta_one_opposite_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/xjjfvc
title: Arg_guan2_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/fohonu
title: His_beta_smallercap_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/mbxr9l
title: AceNme_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/vk9vx1
title: Ser_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/vl6vll
title: methanimine_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/xaqftx
title: pro_cis_pyrr2_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/1a6qdv
title: Met_gamma_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ca6ere
title: Leu_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ffiehk
title: Gly_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/iflalj
title: Lys_uncharged_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/likgh7
title: isopropanol_onC_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/svassd
title: Leu_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/av6v0m
title: His_beta_smallercap_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/kgfev8
title: Ile_delta_three_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/szkgos
title: Trp_indol1_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/tmln9g
title: Hyl_charged_gamma_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/z40o00
title: Lys_charged_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/6lgpim
title: His_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/kzayju
title: His_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ovzdg9
title: methane_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/paii1h
title: Met_gamma_one_opposite_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/tswllg
title: Lys_charged_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/5vb50g
title: Hyl_charged_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/9ay6mu
title: Hyl_uncharged_epsilon_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/izzp2y
title: Met_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/k2yt3g
title: Hyl_uncharged_delta_onO_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/lxuwu1
title: nma_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ctibn6
title: Ile_gammaEt_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/o8ujfd
title: dopa_c-1para_alpha_oneway_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/odp7xe
title: Ile_delta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ojtnpa
title: Lys_uncharged_gamma_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/so0kob
title: Hyl_uncharged_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ykcdck
title: phenol_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/29qz2n
title: Val_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/8gl6fa
title: c0meta2_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/97qff5
title: ethanethiol_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/dodzdc
title: AceNme_MeCterm_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/rmilfk
title: c-1meta_meta2_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/0paaiu
title: Pro_trans_pyrr3_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/1frvqo
title: Ile_delta_two_opposite_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/f8tlvb
title: methane_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/gqkvdj
title: Hyp_trans_pyrr4_onO_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/guhmoz
title: Pro_trans_pyrr5_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/nrawpm
title: pro_cis_pyrr5_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/0tabxu
title: propane_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/aojkwl
title: Asp_uncharged_carboxy_oneway_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/fkcccb
title: Asn_amide_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/prdlny
title: dopa_c-1meta_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/rff1vi
title: Phe_metaN_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/4ftx1w
title: His_smallercap_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/gdjqou
title: Tyr_hydroxy_1.xyz

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

description: :unav
DOI: 10.11588/data/aa3uaq/qqjmvn
title: His_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/lye7km
title: Arg_uncharged_delta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/qu4yl8
title: Trp_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/razuze
title: Glu_uncharged_gamma_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/twcwc6
title: Val_gamma_one_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/voge54
title: Val_beta_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/wxp2fu
title: Arg_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/52jtco
title: Lys_charged_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/fc6eiv
title: Cys_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/jfw9tj
title: Glu_uncharged_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/q324ip
title: ethanol_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/vqtwct
title: Nterminus_uncharged_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/dnjuxw
title: Arg_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/mhnro6
title: Asp_uncharged_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/pbprbt
title: AceNme_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/wngmcb
title: Trp_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/4vceoq
title: Met_epsilon_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/d39qfr
title: AceNme_NNterm_1.pdb

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

description: :unav
DOI: 10.11588/data/aa3uaq/ubl2as
title: Met_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/wdchns
title: Arg_uncharged_delta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/hal8wx
title: methanol_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/8mdoqh
title: Hyl_uncharged_gamma_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/dgtx5x
title: c-1meta_ortho1_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/iy1sje
title: tbu_amine_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ki646l
title: Glu_uncharged_alpha_opposite_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/rwdwqe
title: His_beta_smallercap_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/sldz6b
title: Asn_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/225goe
title: Hyl_charged_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/2og4ej
title: Leu_delta_two_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/aeed3i
title: c0ortho1_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/hvxzfm
title: Leu_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/us0x8b
title: AceNme_MeCterm_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/d5uknw
title: His_imidazole3_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/jzmj9n
title: Asp_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/kfqtca
title: Ser_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/pgzn8t
title: Hyl_charged_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/x4ulke
title: Tyr_hydroxy_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/4c9qhn
title: c-1meta_ortho2_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/de5mhw
title: Lys_charged_amine_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ebnfbr
title: isobutane_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/imqkrx
title: His_imidazole1_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ncaspy
title: ethanethiol_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/rowvy5
title: Cys_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/a4diyy
title: Thr_gamma_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ff1tvz
title: acetamide_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/foqsmg
title: c-1hydroxy_1.pdb

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

description: :unav
DOI: 10.11588/data/aa3uaq/z5pgwn
title: Lys_charged_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/bn0i5f
title: Asn_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/m1bhnj
title: Ile_gammaMe_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/noap0d
title: Gln_gamma_one_1.xyz

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

description: :unav
DOI: 10.11588/data/aa3uaq/ujmbec
title: His_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/vpxpys
title: formamide_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/7ddqpx
title: transitionstate

description: :unav
DOI: 10.11588/data/aa3uaq/hzvvak
title: Gly_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/pekinl
title: Lys_uncharged_amine_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/tucf5x
title: ethylamine_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/up636u
title: His_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/uxv0v7
title: Lys_charged_delta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/1saj4x
title: AceNme_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/6dv9e3
title: Nterminus_charged_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/7ogutk
title: Hyl_charged_amine_three_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ceefgc
title: backbone_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/wv3rj6
title: dopa_c0_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ddtfa3
title: isopropanol_onC_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/jmez5f
title: Lys_uncharged_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/nugrd0
title: Leu_gamma_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/nythst
title: His_imidazole2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/szamug
title: Thr_gamma_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/u3zdxp
title: Met_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/1dkxj3
title: Hyl_uncharged_gamma_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/d5hpbu
title: His_imidazole4_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/tfbc5c
title: Glu_charged_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/vov5b0
title: His_imidazole1_oneway_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ivxmk8
title: formamide_rad_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/l1zu3c
title: His_imidazole4_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/mwcrcx
title: Hyl_uncharged_delta_onO_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/oq39bg
title: dopa_c-1meta_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/x0jvyx
title: His_imidazole4_1.pdb

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

description: :unav
DOI: 10.11588/data/aa3uaq/bz01dc
title: hyp_cis_pyrr5_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/duudea
title: tbu_amine_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/dwy6wi
title: formic_acid_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hbpkrf
title: Hyl_uncharged_gamma_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ltdaei
title: Arg_uncharged_delta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/lgagum
title: ethane_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/nedqbo
title: Hyl_uncharged_epsilon_two_1.pdb

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

description: :unav
DOI: 10.11588/data/aa3uaq/sbkelh
title: AceNme_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/utve7r
title: Cys_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/6hk2gf
title: Ile_beta_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/dt7hjq
title: Ser_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/jyjat7
title: Nterminus_uncharged_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/s9ne4z
title: AceNme_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ysutwn
title: dopa_c0_beta_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/b0jkhd
title: AceNme_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/c8kfaq
title: Cterminus_uncharged_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/it23hw
title: Asn_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ocrurf
title: hyp_cis_pyrr2_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/vpjno6
title: tyr_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/zg4whl
title: Hatom_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/jpbzu1
title: Phe_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ou5wbl
title: Phe_orthoC_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ozlgvk
title: His_smallercap_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/qlgbrv
title: Nterminus_uncharged_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/riicok
title: Hyp_trans_pyrr3_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/amudsn
title: Gly_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/k6wo80
title: Thr_beta_onO_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/omdelh
title: Glu_uncharged_alpha_oneway_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/tfpqti
title: c0hydroxy_meta_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/wpbx7h
title: Val_gamma_one_three_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/zbnjo1
title: Arg_guan1_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/duq3nq
title: His_imidazole3_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/fnkwiy
title: Arg_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/g8oymw
title: isobutane_rad_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/q5zpms
title: Gln_gamma_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/yp9plw
title: Arg_four_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/1tv0hr
title: Lys_charged_epsilon_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/jc7dfk
title: Hyl_uncharged_delta_onC_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/v2qn6v
title: Asp_uncharged_alpha_opposite_1.xyz

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

description: :unav
DOI: 10.11588/data/aa3uaq/zlrb15
title: Arg_guan1_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/49mzd4
title: tyr_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/bziag2
title: c0hydroxy_meta_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/oeql2b
title: His_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ohoxhy
title: Lys_charged_delta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/opl54z
title: dopa_c-1meta_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/1uby4a
title: Ile_beta_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/42hn2d
title: Thr_gamma_three_1.xyz

description: :unav