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Application

Discovery Studio 1.0 Materials Studio 0.962415676196595 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06318926974664679 Amorphous Cell 0.27630402384500746 Blends 0.0022354694485842027 CASTEP 0.41713859910581225 CDOCKER 0.18181818181818182 CHARMm 0.2572280178837556 COMPASS 0.373919523099851 COMPASS III 0.07794336810730253 COSMObase 0.0031296572280178838 COSMOconf 0.0035767511177347243 COSMOmic 1.4903129657228018E-4 COSMOperm 0.0013412816691505216 COSMOplex 4.4709388971684054E-4 COSMOquick 0.0010432190760059613 COSMOtherm 0.06706408345752608 Cantera 0.0 Catalyst 0.12473919523099851 Classical Simulations 1.0 Conformers 8.941877794336811E-4 Crystallization 0.07481371087928465 DFTB Plus 0.007749627421758569 DMol3 0.19225037257824143 DPD 0.0029806259314456036 Discover 0.004172876304023845 Forcite 0.5304023845007452 GULP 0.028166915052160953 Kinetix 2.9806259314456036E-4 LUDI 0.004918032786885246 LibDock 0.07421758569299552 LigandFit 0.007451564828614009 MCSS 0.0010432190760059613 MODELER 0.1976154992548435 MesoDyn 0.0013412816691505216 Mesocite 0.0037257824143070045 Mesoscale 0.007153502235469449 Modules 0.0 Morphology 0.018330849478390462 ONETEP 8.941877794336811E-4 Polymorph 0.002384500745156483 QMERA 1.4903129657228018E-4 QSAR 0.0013412816691505216 Quantum Mechanics 0.5964232488822653 Reflex 0.053502235469448586 Reflex Plus 8.941877794336811E-4 Semi-empirical 0.009836065573770493 Sorption 0.05588673621460507 Synthia 0.0022354694485842027 TURBOMOLE 2.9806259314456036E-4 VAMP 0.001639344262295082 Visualization 0.9096870342771982 X-Cell 7.451564828614009E-4 ZDOCK 0.030700447093889718

Year

2020 0.017378100219335245 2021 0.24346212249029864 2022 0.29188459591699006 2023 0.43428378606377593 2024 1.0 2025 0.9677745908554075 2026 0.3602159608570947 2027 0.0

Keywords

target 1.0 potential 0.2608668845181577 docking 0.21721437819840927 visualization 0.21715272211603676 analysis 0.17670633207965966 between 0.1503175288242185 novel 0.10049941426721747 energy 0.08224921388494975 binding 0.06702016153893582 cell 0.0572785005240767 activity 0.053270855169862505 promising 0.043652506319748444 interaction 0.03872001972994636 synthesized 0.032246131080831124 experimental 0.029594919538812502 stability 0.02262778223071706 protein 0.0205931315124237 development 0.01806523213515013 mechanism 0.015105740181268883 effective 0.0146741476046612 synthesis 0.014242555028053518 performance 0.01313274554534805 including 0.007213761637585548 chemical 0.002281275047783464 design 0.0
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