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Application

Discovery Studio 0.8392434988179669 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05611031859248693 Amorphous Cell 0.28483119353304803 Blends 0.0023775558725630053 CASTEP 0.29291488349976225 CDOCKER 0.15121255349500715 CHARMm 0.23775558725630053 COMPASS 0.3537803138373752 COMPASS III 0.12077983832620066 COSMObase 0.0042796005706134095 COSMOconf 0.007132667617689016 COSMOmic 0.0 COSMOperm 4.7551117451260106E-4 COSMOplex 4.7551117451260106E-4 COSMOtherm 0.06657156443176415 Catalyst 0.06657156443176415 Classical Simulations 1.0 Conformers 4.7551117451260106E-4 Crystallization 0.07655729909652877 DFTB Plus 0.0033285782215882074 DMol3 0.13742272943414172 DPD 0.0014265335235378032 Discover 0.0033285782215882074 Forcite 0.5439847836424156 GULP 0.01378982406086543 Kinetix 0.0 LUDI 9.510223490252021E-4 LibDock 0.06038991916310033 LigandFit 0.0033285782215882074 MODELER 0.21302900618164528 Mesocite 0.0042796005706134095 Mesoscale 0.005230622919638612 Morphology 0.016642891107941038 ONETEP 9.510223490252021E-4 Polymorph 0.0023775558725630053 QMERA 0.0 Quantum Mechanics 0.4246314788397527 Reflex 0.05611031859248693 Reflex Plus 0.0 Semi-empirical 0.0042796005706134095 Sorption 0.06324298621017593 Synthia 9.510223490252021E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.5948644793152639 X-Cell 0.0014265335235378032 ZDOCK 0.02615311459819306

Year

2024 0.0 2025 0.8023296858453935 2026 1.0 2027 0.0035298270384751147

Keywords

target 1.0 potential 0.30052356020942406 analysis 0.2117801047120419 docking 0.1905759162303665 between 0.13926701570680627 visualization 0.13743455497382198 promising 0.08952879581151832 novel 0.08298429319371728 energy 0.08141361256544502 cell 0.06465968586387434 performance 0.058900523560209424 binding 0.051832460732984295 stability 0.03795811518324607 strong 0.03324607329842932 activity 0.0306282722513089 strategy 0.025392670157068063 including 0.024345549738219896 enhanced 0.02382198952879581 mechanism 0.013089005235602094 development 0.011518324607329843 effective 0.01099476439790576 experimental 0.004712041884816754 synthesized 0.0036649214659685864 design 0.0010471204188481676 therapeutic 0.0
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