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Application

Discovery Studio 1.0 Materials Studio 0.9919309438919122 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05860805860805861 Amorphous Cell 0.27884615384615385 Blends 0.0020604395604395605 CASTEP 0.3244047619047619 CDOCKER 0.17124542124542125 CHARMm 0.2735805860805861 COMPASS 0.3367673992673993 COMPASS III 0.10645604395604395 COSMObase 0.004807692307692308 COSMOconf 0.005952380952380952 COSMOmic 0.0 COSMOperm 4.578754578754579E-4 COSMOplex 2.2893772893772894E-4 COSMOquick 6.868131868131869E-4 COSMOtherm 0.06524725274725275 Catalyst 0.07967032967032966 Classical Simulations 1.0 Conformers 4.578754578754579E-4 Crystallization 0.07142857142857142 DFTB Plus 0.003891941391941392 DMol3 0.15018315018315018 DPD 0.0025183150183150185 Discover 0.004578754578754579 Forcite 0.5224358974358975 GULP 0.017628205128205128 Kinetix 2.2893772893772894E-4 LUDI 0.003891941391941392 LibDock 0.07097069597069597 LigandFit 0.003663003663003663 MODELER 0.25503663003663 MesoDyn 6.868131868131869E-4 Mesocite 0.003205128205128205 Mesoscale 0.006181318681318681 Modules 0.0 Morphology 0.016712454212454212 ONETEP 9.157509157509158E-4 Polymorph 0.0020604395604395605 QMERA 2.2893772893772894E-4 QSAR 4.578754578754579E-4 Quantum Mechanics 0.46565934065934067 Reflex 0.05128205128205128 Reflex Plus 9.157509157509158E-4 Semi-empirical 0.005265567765567766 Sorption 0.05631868131868132 Synthia 0.0011446886446886447 TURBOMOLE 0.0 VAMP 6.868131868131869E-4 Visualization 0.7005494505494505 X-Cell 0.0013736263736263737 ZDOCK 0.028846153846153848

Year

2023 0.0 2024 0.3781777695305251 2025 1.0 2026 0.7567266654295788 2027 0.0018556318426424198

Keywords

target 1.0 potential 0.30629824365141517 docking 0.22631166797180893 analysis 0.21971137711153374 visualization 0.16489540217026513 between 0.14453518290636536 novel 0.09464145877614946 promising 0.08837677592571876 binding 0.07685423425439088 energy 0.07361002349256068 cell 0.06342991386061081 activity 0.05022933214006041 stability 0.04306969459671104 performance 0.040272961181340196 including 0.02170265130327777 effective 0.018122832531603086 development 0.01733974717529925 synthesized 0.01700413916545475 experimental 0.013200581720550397 mechanism 0.012864973710705895 enhanced 0.012641235037476228 strong 0.01129880299809822 interaction 0.008166461572882873 protein 0.001789909385837342 design 0.0
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