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Application

Discovery Studio 0.9392597543654441 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06799820466786355 Amorphous Cell 0.28377468581687615 Blends 0.003254039497307002 CASTEP 0.4074281867145422 CDOCKER 0.16685368043087973 CHARMm 0.24539946140035906 COMPASS 0.3778052064631957 COMPASS III 0.0778725314183124 COSMObase 0.0031418312387791743 COSMOconf 0.004263913824057451 COSMOmic 1.1220825852782765E-4 COSMOperm 0.0010098743267504488 COSMOplex 3.3662477558348296E-4 COSMOquick 0.0013464991023339318 COSMOtherm 0.06788599640933572 Cantera 0.0 Catalyst 0.10985188509874327 Classical Simulations 1.0 Conformers 0.001234290843806104 Crystallization 0.07675044883303411 DFTB Plus 0.006059245960502693 DMol3 0.18682675044883304 DPD 0.003254039497307002 Discover 0.005610412926391382 Forcite 0.5444344703770198 GULP 0.024461400359066427 Kinetix 2.244165170556553E-4 LUDI 0.0052737881508079 LibDock 0.06631508078994613 LigandFit 0.006956912028725314 MCSS 8.976660682226212E-4 MODELER 0.19468132854578096 MesoDyn 0.0013464991023339318 Mesocite 0.004600538599640934 Mesoscale 0.008191202872531419 Morphology 0.017728904847396768 ONETEP 0.0013464991023339318 Polymorph 0.0021319569120287255 QMERA 2.244165170556553E-4 QSAR 0.0015709156193895871 Quantum Mechanics 0.583370736086176 Reflex 0.05621633752244165 Reflex Plus 4.488330341113106E-4 Semi-empirical 0.007966786355475763 Sorption 0.05430879712746858 Synthia 0.0011220825852782765 TURBOMOLE 5.610412926391383E-4 VAMP 0.0014587073608617594 Visualization 0.8109290843806104 X-Cell 0.001234290843806104 ZDOCK 0.02917414721723519

Year

2020 0.0065914564583597415 2021 0.17796932437571303 2022 0.21878565090632526 2023 0.4456838636075548 2024 0.8001014070224363 2025 1.0 2026 0.5198377487641019 2027 0.0

Keywords

target 1.0 potential 0.25924834193072954 docking 0.20137558339474332 visualization 0.1907148120854827 analysis 0.178481945467944 between 0.15067550970277574 novel 0.09231147138295259 energy 0.08366494718742323 binding 0.06190125276344879 cell 0.0604274134119381 promising 0.04765413903217883 activity 0.04662245148612135 interaction 0.02913289118152788 stability 0.027462539916482436 experimental 0.026774748219110783 synthesized 0.02407270940800786 performance 0.01822647998034881 mechanism 0.015819209039548022 effective 0.014885777450257922 development 0.01213461066077131 including 0.0075165806927044955 synthesis 0.005944485384426431 protein 0.005305821665438467 chemical 2.947678703021371E-4 design 0.0
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