cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.11588/data/aa3uaq/rnlk6l
title: Ile_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/royr0z
title: Hyl_uncharged_amine_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/5n7jfx
title: Thr_beta_onO_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/bgminm
title: Lys_uncharged_epsilon_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/nsfbtn
title: pro_cis_pyrr4_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/sllwcx
title: Phe_metaN_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/ae7yun
title: Phe_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/fte7t2
title: Cys_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ghlaqn
title: Hyl_uncharged_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/l6hp1e
title: Arg_uncharged_guan1_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/xy6mz4
title: Hyl_uncharged_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/9ojfwt
title: c-1meta_ortho2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/eceill
title: Hyl_charged_epsilon_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/g8be4o
title: ala_pure_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/j3rndt
title: backbone_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/jpox0e
title: Gln_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/7q9zmy
title: Arg_gamma_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/naxsy6
title: hyp_cis_pyrr3_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/nfkmuc
title: Lys_uncharged_gamma_one_opposite_1.xyz

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

description: :unav
DOI: 10.11588/data/aa3uaq/vetrnq
title: dma_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/x2cgg4
title: Arg_gamma_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/cnej3a
title: Thr_beta_onC_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/of0j1u
title: Hyl_charged_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/oyovj0
title: Hyp_trans_pyrr5_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ubdalj
title: ethylamine_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/y7g9a3
title: Ile_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/7zlkba
title: c-1meta_ortho1_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ovfccn
title: isopropanol_onC_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/x66aqd
title: formamide_rad_one_oneway_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/xgadjn
title: Phe_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/zfnu3x
title: Glu_charged_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/i1qztz
title: Asp_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/neinek
title: Gln_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/pdonfy
title: His_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/qkqcor
title: Arg_uncharged_guan1_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/zx9hc3
title: Hyl_uncharged_1.pdb

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

description: :unav
DOI: 10.11588/data/aa3uaq/j00vph
title: Glu_uncharged_gamma_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/j5clre
title: dma_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/mxxded
title: Hyl_charged_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/u9mfnd
title: Trp_indol2_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/3hutfo
title: Met_epsilon_three_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/7z17gc
title: Glu_charged_alpha_1.pdb

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

description: :unav
DOI: 10.11588/data/aa3uaq/wqow6u
title: Hyl_uncharged_amine_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/yk8af2
title: tbu_amine_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/2tjq8m
title: Arg_guan2_two_1.xyz

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

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

description: :unav
DOI: 10.11588/data/aa3uaq/u4y1ah
title: Glu_uncharged_gamma_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/3jq4ov
title: Thr_beta_onO_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/j6sued
title: Arg_uncharged_gamma_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/jnecs8
title: Gly_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/lhhzte
title: Arg_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/m6vab3
title: Thr_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/qzpdqn
title: Arg_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/7l8dn0
title: pro_cis_pyrr5_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ea1mwg
title: Cys_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/fifbeq
title: Hyp_trans_pyrr5_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ilkc7m
title: Asp_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/n6iv6h
title: ethylbenzene_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/09ropo
title: Asn_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/4usi7x
title: nmf_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/dirf5m
title: His_imidazole4_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/pvfmxk
title: Lys_uncharged_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/tda4ye
title: pyrrol_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/wlnolq
title: Hyl_charged_amine_three_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/loupmb
title: Lys_uncharged_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/plwvhh
title: Arg_epsilon_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/vcdard
title: Trp_indol2_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ywesnf
title: Lys_uncharged_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/3vpakn
title: Gln_amide_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/i8keaz
title: formic_acid_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/xenkxz
title: Phe_para_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/xou85r
title: isopropanol_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/zzhaoj
title: Lys_charged_gamma_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/7ewzka
title: Lys_uncharged_epsilon_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/inkdzk
title: Hyl_charged_amine_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/pfubk7
title: dopa_c0_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ptotb1
title: His_imidazole2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/sckz1j
title: isopropanol_onO_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/z5pgmw
title: backbone_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/65psnc
title: His_imidazole4_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/dbaiz4
title: phenol_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/enq78m
title: Gln_amide_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/mjjwgi
title: methanethiol_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ozlyve
title: Arg_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/5i2cxb
title: methanethiol_onS_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/mrvjhx
title: Nterminus_uncharged_amino_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/vkzr8u
title: Arg_uncharged_beta_one_opposite_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/yrh7v5
title: Hyl_uncharged_epsilon_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/dv5nq0
title: Asp_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/emuk1r
title: Lys_charged_amine_three_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/jedaud
title: Thr_gamma_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/s81yta
title: Hyl_uncharged_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/gilgfb
title: propane_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/jhwz4x
title: Val_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/tjj7sq
title: acetamide_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/yhishu
title: dopa_c-1meta_alpha_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/enpetq
title: Trp_indol8_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/qiau25
title: dopa_c0_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/vnwzi9
title: nmf_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/z0d2jv
title: Arg_gamma_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/36ur4h
title: methanol_onO_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/bgzj0t
title: c0ortho2_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/gbumqt
title: Ile_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/puriz4
title: Asp_uncharged_alpha_oneway_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/sl9qkr
title: Val_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/3owsmy
title: Lys_uncharged_gamma_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/aopycl
title: c-1para_ortho1_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/jeqnve
title: Leu_delta_two_three_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/w3moyn
title: dopa_c-1meta_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/0iulh4
title: Thr_gamma_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/0w3wxo
title: Lys_charged_epsilon_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hssgto
title: Arg_uncharged_gamma_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/l0vhpf
title: ethylbenzene_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/xmd2tj
title: Tyr_hydroxy_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/5p2154
title: Cys_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/8c20fw
title: Val_gamma_one_three_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ff8hsj
title: His_alpha_fourthway_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/hrxytr
title: Arg_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/tx4zuy
title: propane_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/7ypoct
title: ethylamine_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/bgtd2a
title: Hyl_uncharged_gamma_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/g59lxk
title: Hyp_trans_pyrr3_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/scwmcl
title: pro_cis_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/zyklev
title: Lys_charged_amine_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/7q2rwo
title: dopa_c-1para_alpha_oneway_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/eqqb2i
title: Trp_indol6_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/kkxe4x
title: Hyl_charged_gamma_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/pbohbv
title: Trp_indol1_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/sbbeaf
title: dopa_c-1para_alpha_oneway_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/0iwi4u
title: ethylbenzene_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/2kjpkn
title: ethanol_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/t3iosk
title: methanol_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/uylnzo
title: c-1para_ortho2_opposite_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/vqpnqu
title: Ile_gammaEt_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/0ouhka
title: Trp_indol8_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/bsj7kk
title: AceNme_MeNterm_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/sjjad9
title: Nterminus_uncharged_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/u1mzqa
title: Thr_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/7vmdwo
title: Nterminus_uncharged_amino_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hxqyxc
title: phenol_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/mg2zol
title: Asp_uncharged_carboxy_oneway_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/rdvn74
title: Thr_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/wxs0nm
title: Nterminus_uncharged_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/gticsb
title: pyrrol_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/oszat8
title: pro_cis_pyrr2_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/qw7ncy
title: Arg_uncharged_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/uda5gm
title: Glu_charged_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/x7ktsr
title: Nterminus_uncharged_amino_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/8r9whr
title: His_imidazole2_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/idbjba
title: dopa_c0_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ueritt
title: Lys_charged_beta_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/yi8ecr
title: dopa_c-1meta_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/cxd0a3
title: His_alpha_otherway_1.xyz

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

description: :unav
DOI: 10.11588/data/aa3uaq/lsw9y1
title: Val_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/qutxqr
title: Phe_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/tpst7o
title: Leu_delta_two_two_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/gfysid
title: c-1para_ortho2_opposite_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/qoqvon
title: dma_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/rmtwuh
title: His_smallercap_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/v9hfnm
title: Hyl_charged_amine_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/3wo3y5
title: all.done

description: :unav
DOI: 10.11588/data/aa3uaq/7grc9t
title: Phe_metaN_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/byrikk
title: Leu_delta_one_three_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hqigii
title: Lys_charged_epsilon_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/lay3hy
title: methylamine_onN_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/0zzt6y
title: Hyp_trans_pyrr4_onC_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/9jhvph
title: Ile_delta_two_oneway_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/asjlm7
title: methylamine_onN_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/k6cotd
title: Trp_indol6_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/megfjf
title: dopa_c-1para_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/b7yq1r
title: Ile_gammaMe_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/mbdlis
title: Tyr_ortho_C_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/mxcpgd
title: Arg_four_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/nexjh9
title: Met_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/tbot8j
title: Asn_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/bigdiq
title: His_alpha_oneway_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/fdkr32
title: Nterminus_uncharged_amino_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/fuq287
title: Arg_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/hyyelz
title: Lys_charged_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/pwm09n
title: BDEs.tab

description: :unav
DOI: 10.11588/data/aa3uaq/wg856d
title: His_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/2rqiyl
title: Asn_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/bp5cyk
title: Leu_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/d79jj7
title: Ile_delta_two_oneway_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/rj33bf
title: transitionstate

description: :unav
DOI: 10.11588/data/aa3uaq/zhomq8
title: Arg_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/h25btk
title: His_imidazole4_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/vjdbqp
title: Glu_charged_gamma_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/wi8p4m
title: c0meta2_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/xnnsx3
title: Cys_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/xtrxdr
title: Asp_uncharged_alpha_oneway_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ylfc8n
title: Pro_trans_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/3wago9
title: propane_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/c5t2iz
title: Arg_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/uo4rzv
title: Phe_orthoC_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/w566ul
title: Hyl_charged_epsilon_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/zvthcx
title: Asp_uncharged_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/cumdea
title: Ile_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/dbkpp4
title: ethanethiol_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/fov4ty
title: His_beta_one_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/kxvad7
title: Trp_indol6_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ustrcu
title: Hyp_trans_pyrr4_onC_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/5gakzj
title: pro_cis_pyrr5_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/6leijt
title: Arg_uncharged_beta_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/7tlwhg
title: Arg_delta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/8bdeon
title: benzene_1.pdb

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

description: :unav
DOI: 10.11588/data/aa3uaq/cbmm4a
title: Arg_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/egpo2y
title: methanimine_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/r7r2ix
title: Cterminus_charged_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/vndtda
title: Gln_beta_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/wvxamm
title: Leu_delta_one_three_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/xvy72x
title: Arg_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/cdhnpm
title: Met_alpha_1.xyz

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

description: :unav
DOI: 10.11588/data/aa3uaq/hd7zjv
title: Lys_charged_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/kgra2b
title: dopa_c0_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/kqzrhg
title: Phe_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/pgx2fb
title: tyr_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/rejvaw
title: AceNme_NCterm_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/tpshrv
title: Glu_uncharged_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/vhatn5
title: phenol_1.xyz

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

description: :unav
DOI: 10.11588/data/aa3uaq/fw1d5x
title: AceNme_beta_three_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/hyibhl
title: Ile_delta_three_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/q5hljf
title: Glu_uncharged_alpha_oneway_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/xuvjp7
title: ethanol_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/y5wkg3
title: Val_gamma_one_three_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/gp9xnx
title: hyp_cis_pyrr4_onC_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/klp8jg
title: dopa_c0_alpha_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/v48gtm
title: Pro_trans_pyrr4_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/wwipj7
title: Hyp_trans_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/5rvrii
title: methanimine_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/i0lh3x
title: Arg_beta_two_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/k14qii
title: Lys_uncharged_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/qkiomd
title: Lys_uncharged_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/tuppww
title: Trp_indol7_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/hgdtud
title: Met_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ndegj1
title: dopa_c0_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/nkqpjg
title: Glu_charged_beta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/qmfusn
title: tbu_amine_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/394ojg
title: ethane_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/4lrja8
title: Arg_gamma_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/dtsvqq
title: Arg_five_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/ebecto
title: Hyl_uncharged_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/gjwgiz
title: dopa_c-1para_abeta_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/l8sgyv
title: c0meta2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/8376sy
title: Asp_uncharged_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/cmasdp
title: tyr_alpha_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ecgpdg
title: Hyp_trans_pyrr2_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/juz31f
title: Arg_uncharged_gamma_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/x2eurv
title: Glu_charged_gamma_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/1b4fs6
title: dopa_c-1para_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/bvr9q8
title: Leu_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ekgdem
title: Trp_beta_two_1.log

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

description: :unav
DOI: 10.11588/data/aa3uaq/ijvlsn
title: Arg_delta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/4yzvff
title: Lys_charged_beta_two_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/5xoern
title: formic_acid_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/7ungoe
title: dma_rad_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/oxhy0u
title: Ser_beta_onC_one_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/pao0kd
title: AceNme_MeNterm_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/agwiid
title: His_alpha_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/i0gojm
title: Cterminus_uncharged_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/lypfaf
title: pro_cis_pyrr2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/txh5gg
title: transitionstate

description: :unav
DOI: 10.11588/data/aa3uaq/xxe22n
title: Val_gamma_two_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/4unncm
title: methanethiol_onS_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/8sh4qd
title: ethanol_rad_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/siulwv
title: isobutane_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/ygesgk
title: methylamine_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/5ntxfm
title: Ser_beta_onC_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/jao3cc
title: Cterminus_charged_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/oywcbo
title: Phe_beta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/v6p4l3
title: Ile_gammaMe_two_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/vhujin
title: ethanethiol_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/2rem7p
title: Glu_uncharged_carboxy_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/bvnomv
title: pro_cis_pyrr4_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hfmk5x
title: Arg_uncharged_guan1_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/hhsfd5
title: Tyr_ortho_C_1.xyz

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

description: :unav
DOI: 10.11588/data/aa3uaq/ymtb9p
title: Trp_indol8_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/3zatkv
title: c-1meta_meta2_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/ax62mq
title: dopa_c-1meta_alpha_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/gcegiu
title: c-1meta_ortho2_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/trk8uj
title: Val_gamma_one_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/u2hd78
title: Asp_uncharged_alpha_oneway_1.log

description: :unav
DOI: 10.11588/data/aa3uaq/2waj6n
title: Hyl_uncharged_delta_onC_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/gczlgf
title: Nterminus_charged_rad_1.pdb

description: :unav
DOI: 10.11588/data/aa3uaq/jrb08b
title: Ile_delta_one_1.xyz

description: :unav
DOI: 10.11588/data/aa3uaq/yalwnr
title: Lys_uncharged_amine_one_1.xyz

description: :unav