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Application

Discovery Studio 1.0 Materials Studio 0.8505786249149081 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06390884320039633 Amorphous Cell 0.2704978944760961 Blends 0.0019816695566014365 CASTEP 0.3627693832053505 CDOCKER 0.18615308397324745 CHARMm 0.2899430270002477 COMPASS 0.34332425068119893 COMPASS III 0.08149616051523409 COSMObase 0.003963339113202873 COSMOconf 0.003715630418627694 COSMOmic 0.0 COSMOperm 0.001114689125588308 COSMOplex 2.4770869457517957E-4 COSMOquick 0.0013623978201634877 COSMOtherm 0.06143175625464454 Catalyst 0.12905622987366858 Classical Simulations 1.0 Conformers 8.669804310131286E-4 Crystallization 0.06972999752291305 DFTB Plus 0.005449591280653951 DMol3 0.16423086450334407 DPD 0.002353232598464206 Discover 0.002848649987614565 Forcite 0.5154817934109487 GULP 0.022293782511766162 Kinetix 1.2385434728758978E-4 LUDI 0.004706465196928412 LibDock 0.07740896705474362 LigandFit 0.00582115432251672 MCSS 9.908347783007183E-4 MODELER 0.22491949467426306 MesoDyn 0.0012385434728758979 Mesocite 0.002972504334902155 Mesoscale 0.0060688630170919 Modules 0.0 Morphology 0.01746346296755016 ONETEP 6.192717364379489E-4 Polymorph 0.0017339608620262571 QMERA 0.0 QSAR 9.908347783007183E-4 Quantum Mechanics 0.516596482536537 Reflex 0.05040871934604905 Reflex Plus 9.908347783007183E-4 Semi-empirical 0.007307406489967798 Sorption 0.05201882586078772 Synthia 0.0014862521674510775 TURBOMOLE 2.4770869457517957E-4 VAMP 0.0016101065147386673 Visualization 0.8990587069606143 X-Cell 0.0012385434728758979 ZDOCK 0.031954421600198166

Year

2021 0.0 2022 0.11504874086108854 2023 0.27000406173842406 2024 0.6502843216896832 2025 1.0 2026 0.32961007311129165

Keywords

target 1.0 potential 0.2961536432227088 docking 0.24887880546615312 visualization 0.2213369915053026 analysis 0.20540283860074923 between 0.14952777924339156 novel 0.11011449374769165 binding 0.08774336516646442 energy 0.07191473645333192 promising 0.06278689389542552 activity 0.06268136970400465 cell 0.05941011976995726 interaction 0.035983749274521186 stability 0.03550889041312721 protein 0.02875534216219068 synthesized 0.028122197013665383 including 0.020946551997045322 mechanism 0.02020788265709914 development 0.01983854798712605 experimental 0.019785785891415608 effective 0.018044636732971034 performance 0.015617580330290719 synthesis 0.01435129003324012 vitro 7.386693399461827E-4 silico 0.0
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