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11
One microsecond MD simulations of the SARS-CoV-2 main protease and hydroxychloroquine complex reveal the intricate nature of binding
One microsecond MD simulations of the SARS-CoV-2 main protease and hydroxychloroquine complex reveal the intricate nature of binding
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One microsecond MD simulations of the SARS-CoV-2 main protease and hydroxychloroquine complex reveal the intricate nature of binding

Kumar, Prateek ; Bhardwaj, Taniya ; Kumar, Ankur ; Garg, Neha ; Giri, Rajanish

Taylor & Francis 2021

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12
Hydrogen bonding and drug design (UWI)
Hydrogen bonding and drug design (UWI)
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Hydrogen bonding and drug design (UWI)

Kenny, Peter

figshare 2020

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13
PyMOL presentation showing the H-bond network established during 6 molecular dynamics simulations of coronavirus 2019-nCoV protease model in complex with different conformations of lopinavir. Textual list of the interactions included
PyMOL presentation showing the H-bond network established during 6 molecular dynamics simulations of coronavirus 2019-nCoV protease model in complex with different conformations of lopinavir. Textual list of the interactions included
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PyMOL presentation showing the H-bond network established during 6 molecular dynamics simulations of coronavirus 2019-nCoV protease model in complex with different conformations of lopinavir. Textual list of the interactions included

Cespugli, Marco ; Durmaz, Vedat ; Steinkellner, Georg ; Gruber, Christian C.

figshare 2020

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14
AI3SD Video: Supramolecular Antimicrobials - the next target for AI/Machine Learning?
AI3SD Video: Supramolecular Antimicrobials - the next target for AI/Machine Learning?
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AI3SD Video: Supramolecular Antimicrobials - the next target for AI/Machine Learning?

Hiscock, Jennifer R.

University of Southampton 2020

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15
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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16
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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17
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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18
Protein Interaction Analysis
Protein Interaction Analysis
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Protein Interaction Analysis

Carter, Jerry

Figshare 2019

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19
Hydrogen bonding in the context of drug design
Hydrogen bonding in the context of drug design
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Hydrogen bonding in the context of drug design

Kenny, Peter

figshare 2019

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20
Ab initio spectroscopy and ionic conductivity of water under Earth mantle conditions
Ab initio spectroscopy and ionic conductivity of water under Earth mantle conditions
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Ab initio spectroscopy and ionic conductivity of water under Earth mantle conditions

Qresp UChicago

figshare 2018

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