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Application

Discovery Studio 0.9915508528111181 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06604938271604938 Amorphous Cell 0.27767489711934157 Blends 0.0024691358024691358 CASTEP 0.384156378600823 CDOCKER 0.1640946502057613 CHARMm 0.25792181069958847 COMPASS 0.3593621399176955 COMPASS III 0.08415637860082305 COSMObase 0.00360082304526749 COSMOconf 0.004320987654320987 COSMOmic 1.0288065843621399E-4 COSMOperm 0.001337448559670782 COSMOplex 2.0576131687242798E-4 COSMOquick 0.001440329218106996 COSMOtherm 0.06306584362139918 Cantera 0.0 Catalyst 0.12211934156378601 Classical Simulations 1.0 Conformers 7.20164609053498E-4 Crystallization 0.07397119341563786 DFTB Plus 0.005555555555555556 DMol3 0.17232510288065844 DPD 0.0023662551440329217 Discover 0.0031893004115226336 Forcite 0.5344650205761317 GULP 0.024074074074074074 Kinetix 3.0864197530864197E-4 LUDI 0.004320987654320987 LibDock 0.07006172839506172 LigandFit 0.005555555555555556 MCSS 6.172839506172839E-4 MODELER 0.19032921810699588 MesoDyn 0.00102880658436214 Mesocite 0.0033950617283950617 Mesoscale 0.006378600823045267 Modules 0.0 Morphology 0.017695473251028805 ONETEP 0.00102880658436214 Polymorph 0.001851851851851852 QMERA 1.0288065843621399E-4 QSAR 0.00102880658436214 Quantum Mechanics 0.5455761316872428 Reflex 0.053703703703703705 Reflex Plus 9.25925925925926E-4 Semi-empirical 0.007304526748971194 Sorption 0.05668724279835391 Synthia 0.0015432098765432098 TURBOMOLE 6.172839506172839E-4 VAMP 0.001440329218106996 Visualization 0.8241769547325103 X-Cell 0.001337448559670782 ZDOCK 0.028497942386831277

Year

2022 0.04404122258433894 2023 0.35673390293314544 2024 0.6091781907865762 2025 1.0 2026 0.3744384744120497 2027 0.0

Keywords

target 1.0 potential 0.2852225895566324 docking 0.22299714686834834 visualization 0.2049726008785834 analysis 0.1959603278837009 between 0.15465785064082244 novel 0.10253158824328608 energy 0.08813006657307187 binding 0.07436257415877905 cell 0.06317648657216611 promising 0.062180154884289664 activity 0.054571803813233094 stability 0.038358769983243515 interaction 0.03618495539151306 synthesized 0.03138444816810833 performance 0.031112721344142023 experimental 0.029120057968389113 effective 0.02133055568135501 development 0.021285267877360625 mechanism 0.020651238621439246 protein 0.020017209365517867 including 0.01911145328563018 synthesis 0.014220370454236674 design 0.003351297495584439 chemical 0.0
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