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Application

Discovery Studio 1.0 Materials Studio 0.9982738425497811 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06766979115277093 Amorphous Cell 0.2796415063311955 Blends 0.0025489228745272157 CASTEP 0.4061009702351587 CDOCKER 0.1731623088307844 CHARMm 0.2573589870087157 COMPASS 0.3677849037987173 COMPASS III 0.0772076961026147 COSMObase 0.003124486104259168 COSMOconf 0.003535602696924848 COSMOmic 2.46669955599408E-4 COSMOperm 0.001397796415063312 COSMOplex 3.28893274132544E-4 COSMOquick 0.001397796415063312 COSMOtherm 0.06355862522611412 Cantera 8.2223318533136E-5 Catalyst 0.12596612399276436 Classical Simulations 1.0 Conformers 0.0010689031409307679 Crystallization 0.07490544318368689 DFTB Plus 0.0059200789343857915 DMol3 0.18442690346982404 DPD 0.003124486104259168 Discover 0.003946719289590528 Forcite 0.5350271336951159 GULP 0.026147015293537246 Kinetix 2.46669955599408E-4 LUDI 0.00493339911198816 LibDock 0.07062983061996382 LigandFit 0.006660088801184016 MCSS 9.86679822397632E-4 MODELER 0.18072685413583292 MesoDyn 0.00164446637066272 Mesocite 0.004028942608123664 Mesoscale 0.007728991942114784 Modules 0.0 Morphology 0.017349120210491696 ONETEP 9.86679822397632E-4 Polymorph 0.0018911363262621279 QMERA 2.46669955599408E-4 QSAR 0.001151126459463904 Quantum Mechanics 0.578605492517678 Reflex 0.05525407005426739 Reflex Plus 7.400098667982239E-4 Semi-empirical 0.007893438579181056 Sorption 0.054596283506002305 Synthia 0.0014800197335964479 TURBOMOLE 5.75563229731952E-4 VAMP 0.001562243052129584 Visualization 0.864002631146193 X-Cell 0.001151126459463904 ZDOCK 0.029271501397796416

Year

2021 0.07354872603099553 2022 0.28088608703265916 2023 0.37903861308116626 2024 0.935995096751598 2025 1.0 2026 0.37220908852114526 2027 0.0

Keywords

target 1.0 potential 0.2669049120594212 docking 0.21627776609908206 visualization 0.20870997127040852 analysis 0.1818723284983533 between 0.1511106439632822 novel 0.10090393104898045 energy 0.08321070702823909 binding 0.06940648868334384 cell 0.05949127601429472 activity 0.05122275944222549 promising 0.04754397028939808 interaction 0.037979118492046805 synthesized 0.029920818442996287 stability 0.029290168873940158 experimental 0.02813397799733726 performance 0.019830425338098243 effective 0.018078620979608998 protein 0.017833368369420503 mechanism 0.01758811575923201 development 0.016256744446780182 synthesis 0.012192558335085138 including 0.010475790063765679 chemical 8.408660920748371E-4 design 0.0
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