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Application

Discovery Studio 0.9024830373899235 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06840170278637771 Amorphous Cell 0.28405572755417957 Blends 0.0025154798761609907 CASTEP 0.39976780185758515 CDOCKER 0.15479876160990713 CHARMm 0.24196981424148606 COMPASS 0.3703560371517028 COMPASS III 0.0830108359133127 COSMObase 0.00348297213622291 COSMOconf 0.004063467492260062 COSMOmic 9.674922600619196E-5 COSMOperm 0.0013544891640866873 COSMOplex 1.934984520123839E-4 COSMOquick 0.0013544891640866873 COSMOtherm 0.06404798761609908 Cantera 0.0 Catalyst 0.11387383900928792 Classical Simulations 1.0 Conformers 9.674922600619195E-4 Crystallization 0.07585139318885449 DFTB Plus 0.005611455108359133 DMol3 0.17995356037151702 DPD 0.0027089783281733747 Discover 0.00348297213622291 Forcite 0.5462461300309598 GULP 0.025058049535603717 Kinetix 2.9024767801857584E-4 LUDI 0.00396671826625387 LibDock 0.06578947368421052 LigandFit 0.005127708978328174 MCSS 4.8374613003095975E-4 MODELER 0.17937306501547987 MesoDyn 0.0010642414860681114 Mesocite 0.00396671826625387 Mesoscale 0.007159442724458205 Modules 0.0 Morphology 0.017995356037151702 ONETEP 0.0010642414860681114 Polymorph 0.001838235294117647 QMERA 1.934984520123839E-4 QSAR 0.0010642414860681114 Quantum Mechanics 0.5684984520123839 Reflex 0.05543730650154799 Reflex Plus 8.707430340557275E-4 Semi-empirical 0.007643188854489164 Sorption 0.057469040247678016 Synthia 0.0014512383900928793 TURBOMOLE 5.804953560371517E-4 VAMP 0.001644736842105263 Visualization 0.78125 X-Cell 0.0013544891640866873 ZDOCK 0.02718653250773994

Year

2022 0.05911806043569923 2023 0.3403021784961349 2024 0.7174982431482783 2025 1.0 2026 0.3734188334504568 2027 0.0

Keywords

target 1.0 potential 0.2751932961859099 docking 0.20258304176925404 analysis 0.189883806315062 visualization 0.18958144356615264 between 0.15696946136236015 novel 0.09761997321929938 energy 0.09347328409139993 cell 0.06505118569392251 binding 0.06384173469828518 promising 0.05788086907692972 activity 0.04621830590471254 stability 0.038875210574057274 interaction 0.03468532676774221 performance 0.0342101853051704 experimental 0.031791283313895725 synthesized 0.028767655824802386 effective 0.020776640317912834 mechanism 0.0204742775690035 development 0.017968986220897584 including 0.01615480972744158 protein 0.00915727182411127 synthesis 0.008898103753617555 design 7.343095330655263E-4 chemical 0.0
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