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Refinado por: assunto: Computational Chemistry remover
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Hydrogen bond donors in drug design
Hydrogen bond donors in drug design
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Hydrogen bond donors in drug design

Kenny, Peter

figshare 2021

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2
Molecular interactions and drug design (version 2)
Molecular interactions and drug design (version 2)
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Molecular interactions and drug design (version 2)

Kenny, Peter

figshare 2019

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3
Molecular interactions and drug design
Molecular interactions and drug design
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Molecular interactions and drug design

Kenny, Peter

figshare 2019

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4
Hydrogen bonding and drug design (SancaMedChem 2019)
Hydrogen bonding and drug design (SancaMedChem 2019)
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Hydrogen bonding and drug design (SancaMedChem 2019)

Kenny, Peter

figshare 2019

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5
Potent inhibitors of West Nile Virus NS2B/NS3 protease
Potent inhibitors of West Nile Virus NS2B/NS3 protease
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Potent inhibitors of West Nile Virus NS2B/NS3 protease

Stoermer, Martin ; Chappell, Keith J ; Jensen, Christina M. ; SUSANN LIEBSCHER ; Gan, Chun H. ; Praveer K. Gupta ; Xu, Wei-Jun ; Young, Paul R. ; Watterson, Dan ; Fairlie, David P.

figshare 2019

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6
Molecular dynamics simulations of the binding stability of selected terpenes towards NS5B RNA polymerase from hepatitis C virus
Molecular dynamics simulations of the binding stability of selected terpenes towards NS5B RNA polymerase from hepatitis C virus
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Molecular dynamics simulations of the binding stability of selected terpenes towards NS5B RNA polymerase from hepatitis C virus

Silva, Pedro

figshare 2023

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7
Prospective deep interactome learning for de novo drug design
Prospective deep interactome learning for de novo drug design
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Prospective deep interactome learning for de novo drug design

Atz, Kenneth ; Cotos, Leandro ; Isert, Clemens ; Håkansson, Maria ; Focht, Dorota ; Hilleke, Mattis ; Nippa, David F. ; Iff, Michael ; Ledergerber, Jann ; Schiebroek, Carl ; Romeo, Valentina ; Schneider, Petra ; Kuhn, Bernd ; Grether, Uwe ; Schneider, Gisbert ; Hiss, Jan

figshare 2024

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8
Thermodynamic analysis of metal adsorption over commercially available Silver, Gold, Platinum nanoparticle impregnated activated carbon
Thermodynamic analysis of metal adsorption over commercially available Silver, Gold, Platinum nanoparticle impregnated activated carbon
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Thermodynamic analysis of metal adsorption over commercially available Silver, Gold, Platinum nanoparticle impregnated activated carbon

Shah, Fahad Hassan ; Kim, Song Ja ; Dar, M. Junaid ; Salman, Saad

figshare 2022

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9
Calculated molecular electrostatic potential minima for modeling hydrogen bond basicity
Calculated molecular electrostatic potential minima for modeling hydrogen bond basicity
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Calculated molecular electrostatic potential minima for modeling hydrogen bond basicity

Kenny, Peter

figshare 2022

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10
Core-Core Repulsion, COSMO Area and Volume, Electronic Energy, Ionization Potential and Total Energy of amygdalin amide derivative and its two hydrolytic forms in vivo
Core-Core Repulsion, COSMO Area and Volume, Electronic Energy, Ionization Potential and Total Energy of amygdalin amide derivative and its two hydrolytic forms in vivo
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Core-Core Repulsion, COSMO Area and Volume, Electronic Energy, Ionization Potential and Total Energy of amygdalin amide derivative and its two hydrolytic forms in vivo

Tsanov, Vasil

figshare 2023

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