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Application

Discovery Studio 1.0 Materials Studio 0.8195718654434251 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05316544246239944 Amorphous Cell 0.2602308499475341 Blends 0.001049317943336831 CASTEP 0.27911857292759706 CDOCKER 0.19832109129066108 CHARMm 0.3091990206365862 COMPASS 0.32144106330884925 COMPASS III 0.10912906610703044 COSMObase 0.004547044421126268 COSMOconf 0.005596362364463099 COSMOmic 0.0 COSMOperm 3.497726477789437E-4 COSMOplex 3.497726477789437E-4 COSMOquick 6.995452955578874E-4 COSMOtherm 0.05876180482686254 Catalyst 0.08569429870584121 Classical Simulations 1.0 Conformers 3.497726477789437E-4 Crystallization 0.07030430220356768 DFTB Plus 0.004197271773347324 DMol3 0.13431269674711438 DPD 0.0027981811822315496 Discover 0.0038474991255683807 Forcite 0.4963273871983211 GULP 0.014340678558936691 Kinetix 0.0 LUDI 0.0031479538300104933 LibDock 0.07904861839804127 LigandFit 0.004547044421126268 MODELER 0.2805176635187128 Mesocite 0.003497726477789437 Mesoscale 0.005596362364463099 Morphology 0.015389996502273523 ONETEP 0.001049317943336831 Polymorph 0.002448408534452606 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.40853445260580623 Reflex 0.05106680657572578 Reflex Plus 6.995452955578874E-4 Semi-empirical 0.005246589716684155 Sorption 0.05666316894018888 Synthia 0.001049317943336831 TURBOMOLE 0.0 VAMP 3.497726477789437E-4 Visualization 0.7674011892270024 X-Cell 6.995452955578874E-4 ZDOCK 0.031829310947883875

Year

2024 0.2497219132369299 2025 1.0 2026 0.8737486095661846 2027 0.0

Keywords

target 1.0 potential 0.3328788137037668 docking 0.2600988580194307 analysis 0.23453212885631497 visualization 0.1886824612237941 between 0.13124254303732744 promising 0.09442645304244077 novel 0.09204022498721663 binding 0.09050622123742968 activity 0.06204192943582751 energy 0.05624680415885461 cell 0.052156127492756096 stability 0.036475200272711776 including 0.027782512357252428 strong 0.021476052497017215 performance 0.01977160388614283 synthesized 0.015851372081131753 development 0.015680927220044317 effective 0.01244247485938299 protein 0.00954491222089654 mechanism 0.008351798193284472 therapeutic 0.007840463610022158 interaction 0.004602011249360832 enhanced 0.002215783194136697 strategy 0.0
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