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Application

Discovery Studio 0.8725225832546852 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07038657913931437 Amorphous Cell 0.28801969365426694 Blends 0.002552881108679796 CASTEP 0.4022611232676878 CDOCKER 0.1513493800145879 CHARMm 0.23550328227571116 COMPASS 0.37636761487964987 COMPASS III 0.08169219547775347 COSMObase 0.003464624361779723 COSMOconf 0.003920495988329687 COSMOmic 2.735229759299781E-4 COSMOperm 0.0014587892049598833 COSMOplex 3.6469730123997083E-4 COSMOquick 0.001276440554339898 COSMOtherm 0.06391320204230488 Cantera 0.0 Catalyst 0.11287381473377096 Classical Simulations 1.0 Conformers 0.0010029175784099199 Crystallization 0.07603938730853392 DFTB Plus 0.005835156819839533 DMol3 0.18435448577680524 DPD 0.0030087527352297594 Discover 0.0038293216630196935 Forcite 0.5511487964989059 GULP 0.026440554339897886 Kinetix 2.735229759299781E-4 LUDI 0.004102844638949671 LibDock 0.06482494529540482 LigandFit 0.005014587892049599 MCSS 5.470459518599562E-4 MODELER 0.17049598832968635 MesoDyn 0.0014587892049598833 Mesocite 0.004285193289569657 Mesoscale 0.00774981765134938 Modules 0.0 Morphology 0.01787016776075857 ONETEP 0.0010029175784099199 Polymorph 0.0018234865061998542 QMERA 2.735229759299781E-4 QSAR 0.0010029175784099199 Quantum Mechanics 0.575401167031364 Reflex 0.05588986141502553 Reflex Plus 8.205689277899343E-4 Semi-empirical 0.007840991976659373 Sorption 0.056528081692195475 Synthia 0.001549963530269876 TURBOMOLE 5.470459518599562E-4 VAMP 0.001549963530269876 Visualization 0.7665025528811087 X-Cell 0.001276440554339898 ZDOCK 0.026440554339897886

Year

2022 0.0798492418266281 2023 0.3606801647821895 2024 0.8063809273380664 2025 1.0 2026 0.37260057849066525 2027 0.0

Keywords

target 1.0 potential 0.2693894220951603 docking 0.1964468041658158 analysis 0.1865632019603839 visualization 0.18501123136614253 between 0.15797426996120073 novel 0.0964672248315295 energy 0.09540535021441698 cell 0.06595875025525832 binding 0.060526853175413516 promising 0.05435981212987544 activity 0.0441494792730243 stability 0.03765570757606698 interaction 0.03561364100469675 performance 0.035164386358995305 experimental 0.03393914641617317 synthesized 0.02858893199918317 effective 0.020951603022258524 mechanism 0.02091076169083112 development 0.017316724525219523 including 0.015642229936695937 synthesis 0.008821727588319379 protein 0.007759852971206862 chemical 9.393506228303043E-4 design 0.0
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