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Application

Discovery Studio 1.0 Materials Studio 0.4151107251411203 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.046877895126922364 Amorphous Cell 0.10357606077450436 Blends 5.558643690939411E-4 CASTEP 0.2758940151936261 CDOCKER 0.21882527329998147 CHARMm 0.3348156383175838 COMPASS 0.16546229386696312 COMPASS III 0.032795997776542525 COSMObase 0.0020381693533444508 COSMOconf 0.0022234574763757642 COSMOperm 9.264406151565684E-4 COSMOquick 1.8528812303131369E-4 COSMOtherm 0.04780433574207893 Cantera 0.0 Catalyst 0.15749490457661663 Classical Simulations 0.6757457846952011 Conformers 0.0014823049842505095 Crystallization 0.03316657402260515 DFTB Plus 0.0027793218454697055 DMol3 0.12062256809338522 DPD 0.0012970168612191958 Discover 0.002964609968501019 Forcite 0.2301278488048916 GULP 0.015193626088567723 Kinetix 3.7057624606262737E-4 LUDI 0.0070409486751899205 LibDock 0.09449694274596998 LigandFit 0.009264406151565685 MCSS 0.0012970168612191958 MODELER 0.23809523809523808 MesoDyn 0.0 Mesocite 5.558643690939411E-4 Mesoscale 0.0018528812303131369 Morphology 0.007226236798221234 ONETEP 9.264406151565684E-4 Polymorph 0.0012970168612191958 QMERA 1.8528812303131369E-4 QSAR 0.0014823049842505095 Quantum Mechanics 0.3881786177506022 Reflex 0.02464332036316472 Semi-empirical 0.004632203075782842 Sorption 0.027793218454697052 Synthia 0.0 TURBOMOLE 1.8528812303131369E-4 VAMP 0.0012970168612191958 Visualization 1.0 X-Cell 5.558643690939411E-4 ZDOCK 0.029460811561978877

Year

2020 0.04069200779727095 2021 0.2945906432748538 2022 0.34307992202729043 2023 0.5214424951267057 2024 1.0 2025 0.9590643274853801 2026 0.20565302144249512 2027 0.0

Keywords

potential 1.0 target 0.9568025133083166 docking 0.3796142769875207 visualization 0.2673008115891439 analysis 0.246531110917183 binding 0.13351950431974866 novel 0.12610175407976262 activity 0.08360240858713675 between 0.08124618204031765 promising 0.08037350554149576 protein 0.06492713151234837 drug 0.053320534078017276 silico 0.04398289554062309 vitro 0.03944497774674928 therapeutic 0.03551793350205079 treatment 0.029758268609826336 compound 0.023911336067719696 interaction 0.02303865956889781 stability 0.020595165372196526 including 0.019373418273845887 development 0.017802600575966488 inhibition 0.016755388777380226 effective 0.009250370887511999 energy 0.0052360589929313205 synthesized 0.0
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