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Application

Discovery Studio 1.0 Materials Studio 0.9601259181532005 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06573258606885508 Amorphous Cell 0.277582065652522 Antibody 8.00640512409928E-5 Blends 0.002642113690952762 CASTEP 0.40168134507606085 CDOCKER 0.1799039231385108 CHARMm 0.2635708566853483 COMPASS 0.3676541232986389 COMPASS III 0.07510008006405124 COSMObase 0.0029623698959167334 COSMOconf 0.003522818254603683 COSMOmic 1.601281024819856E-4 COSMOperm 0.0012009607686148918 COSMOplex 2.4019215372297838E-4 COSMOquick 0.0012810248198558848 COSMOtherm 0.06397117694155324 Cantera 8.00640512409928E-5 Catalyst 0.12401921537229783 Classical Simulations 1.0 Conformers 0.0011208967173738991 Crystallization 0.0743795036028823 DFTB Plus 0.006084867894315452 DMol3 0.1843074459567654 DPD 0.003042433947157726 Discover 0.004563650920736589 Forcite 0.5302642113690953 GULP 0.025700560448358688 Kinetix 2.4019215372297838E-4 LUDI 0.005684547638110489 LibDock 0.07245796637309848 LigandFit 0.007766212970376301 MCSS 0.0014411529223378704 MODELER 0.19191353082465973 MesoDyn 0.0016813450760608487 Mesocite 0.0040032025620496394 Mesoscale 0.007606084867894315 Modules 0.0 Morphology 0.018014411529223378 ONETEP 8.807045636509207E-4 Polymorph 0.0018414731785428343 QMERA 3.202562049639712E-4 QSAR 0.0013610888710968775 Quantum Mechanics 0.5742994395516413 Reflex 0.05420336269015212 Reflex Plus 7.205764611689352E-4 Semi-empirical 0.008246597277822258 Sorption 0.05396317053642914 Synthia 0.0014411529223378704 TURBOMOLE 6.405124099279424E-4 VAMP 0.0016813450760608487 Visualization 0.8880704563650921 X-Cell 0.0012009607686148918 ZDOCK 0.03058446757405925

Year

2020 0.057741172347323226 2021 0.13484622798563042 2022 0.24699903618680452 2023 0.4660474897047227 2024 0.87689476912293 2025 1.0 2026 0.37246999036186806 2027 0.0

Keywords

target 1.0 potential 0.26388466862486915 docking 0.21857591410918667 visualization 0.21405179108004996 analysis 0.18015463047368244 between 0.14824943448462136 novel 0.09942942030453425 energy 0.07903710456126135 binding 0.07042776596103852 cell 0.05692292109794389 activity 0.05192612849859887 promising 0.04345183834700699 interaction 0.03734089604645666 synthesized 0.02758364563287079 experimental 0.025490394679091123 stability 0.0245450555386745 protein 0.02045983996758837 mechanism 0.016475910732975454 development 0.014618994564299943 effective 0.01404503865761842 performance 0.013302272190148215 synthesis 0.011242783348526283 including 0.00860933860022283 chemical 0.001316722374151727 design 0.0
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