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Application

Discovery Studio 0.965194109772423 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06254598969830757 Amorphous Cell 0.282560706401766 Blends 0.002207505518763797 CASTEP 0.33995584988962474 CDOCKER 0.16501103752759383 CHARMm 0.2623252391464312 COMPASS 0.3408756438557763 COMPASS III 0.10467255334805003 COSMObase 0.00459896983075791 COSMOconf 0.006070640176600441 COSMOmic 0.0 COSMOperm 3.679175864606328E-4 COSMOplex 1.839587932303164E-4 COSMOquick 0.0011037527593818985 COSMOtherm 0.06530537159676232 Catalyst 0.08094186902133922 Classical Simulations 1.0 Conformers 3.679175864606328E-4 Crystallization 0.07137601177336277 DFTB Plus 0.004047093451066961 DMol3 0.15305371596762327 DPD 0.0020235467255334807 Discover 0.003679175864606328 Forcite 0.5288815305371597 GULP 0.02005150846210449 Kinetix 1.839587932303164E-4 LUDI 0.003679175864606328 LibDock 0.06990434142752024 LigandFit 0.004047093451066961 MCSS 3.679175864606328E-4 MODELER 0.24724061810154527 MesoDyn 7.358351729212656E-4 Mesocite 0.0029433406916850625 Mesoscale 0.005518763796909493 Modules 0.0 Morphology 0.016372332597498162 ONETEP 7.358351729212656E-4 Polymorph 0.0020235467255334807 QMERA 1.839587932303164E-4 QSAR 5.518763796909492E-4 Quantum Mechanics 0.48381162619573215 Reflex 0.05187637969094923 Reflex Plus 7.358351729212656E-4 Semi-empirical 0.005702722590139809 Sorption 0.05702722590139809 Synthia 0.0011037527593818985 TURBOMOLE 3.679175864606328E-4 VAMP 0.0011037527593818985 Visualization 0.6961000735835173 X-Cell 0.0014716703458425313 ZDOCK 0.028881530537159677

Year

2023 0.0 2024 0.4732208363903155 2025 1.0 2026 0.6228906823184153 2027 1.467351430667645E-4

Keywords

target 1.0 potential 0.298014997794442 docking 0.21120423467137187 analysis 0.20996912218791355 visualization 0.16029995588883988 between 0.1482134980149978 novel 0.09378032642258491 promising 0.08019408910454345 energy 0.07772386413762682 binding 0.06616674018526687 cell 0.0615791795324217 activity 0.04605205116894574 performance 0.039170710189677986 stability 0.0380238200264667 including 0.019585355094838993 experimental 0.015703573003970003 effective 0.015262461402734892 mechanism 0.014292015880017644 synthesized 0.013939126599029555 development 0.013674459638288486 enhanced 0.009175121305690339 interaction 0.009086898985443317 strong 0.004322893692104103 protein 2.646669607410675E-4 design 0.0
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