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个人简介

Neil Berry is currently a Senior Lecturer at the Department of Chemistry within the University of Liverpool. He is a graduate of Exeter College, University of Oxford where he gained his MChem in Chemistry (1999). He remained at Oxford for his DPhil (2002) under the supervision of Prof. Paul Beer. He moved to the University of Liverpool in 2003 as a post-doctoral research fellow in computational chemistry funded by Romark L.C.. In 2005 he was appointed as a University Teacher in Organic Chemistry and continued his research activities. In 2007 he was appointed as a University Lecturer and in 2012 he was promoted to senior lecturer. Based within the Department of Chemistry at the University of Liverpool, the group uses computational modelling to solve problems in chemistry. The group’s research activities employ molecular modelling in the fields of medicinal chemistry, materials chemistry, reaction mechanisms and chemoinformatics in order to understand chemical systems more fully and predict molecular properties. Molecular Modelling in Medicinal Chemistry (Invitation to Speak, Nathiagali Summer School: Computational Biophysics 2016) Computational predictive ADMET:Guiding Medicinal Chemistry (Invitation to Speak, RSC 3rd new perspectives in DMPK: the impact of drug design 2016) Targeting Protein:Protein Interactions via Structure-Based Molecular Design and Virtual Screening: Modulating the NCS1:D2 Interaction (Invitation to Speak, British Biophysical Society 2016 Biennial Meeting 2016) Anti-Wolbachia (A-WOL) Drug Discovery: Ligand Based Virtual Screening combined with HTS (Invitation to Speak, XXIV EFMC International Symposium on Medicinal Chemistry 2016) Medicinal chemistry optimization of positive allosteric modulators of strychnine‐sensitive glycine receptors: A New Approach to Preventing/Treating Chronic Pain (Invitation to Speak, 9th International conference on Mechanisms of Anaethesia 2015) Molecular Modelling: Novel Small Molecule Inhibitors for Malaria (Invitation to Speak, RSC Organic Division North-West Region 2015) Targeting Isoprenoid Biosynthesis to Treat Human Malaria (Invitation to Speak, 3rd Computationally Driven Drug Discovery Meeting, Verona 2014) Targeting Protein:Protein Interactions via Structure-Based Drug Design and Virtual Screening: Modulating the NCS1:D2 Interaction (Invitation to Speak, 3rd Computationally Driven Drug Discovery Meeting, Verona 2014) Molecular Modelling: Novel Small Molecule Inhibitors for Malaria (Invitation to Speak, Professor Hans Suschitzky Organic Chemistry Symposium, University of Salford 2014) Developing Inhibitors against Protein-Protein Interactions, (Invitation to Speak, University of Liverpool 2013) Enhancing Student Learning: Providing Recordings of Chemistry Teaching (Invitation to Speak, Faculty Teaching & Learning Symposium, University of Liverpool 2013) Targeting Isoprenoid Biosynthesis to Treat Human Malaria (Invitation to Speak, Sixth Joint Sheffield Conference on Cheminformatics, Sheffield 2013) Molecular Modelling in A∙WOL II: A∙WOL Macrofilaricidal Drug Discovery (Invitation to Speak, AWOL Expert Scientific Advisory Committee 2013) Novel Cyclophilin D Inhibitors: Molecular Modelling, Synthesis and Evaluation (Invitation to Speak, International Pancreas and GI Translational Science Symposium, Liverpool 2013) Chemoinformatics: Computational Compound Selection Fit for Purpose (Invitation to Speak, Dial-A-Molecule, University of Liverpool 2012) Molecular Modelling: Novel Small Molecule Inhibitors for Malaria: MEP (Invitation to Speak, Washington University, St Louis, USA 2012) Molecular Modelling: Novel Small Molecule Inhibitors for Malaria (Invitation to Speak, Glaxo Smith Kline, Tres-Cantos, Madrid 2012) A new generation quinolone antimalarial targeting the mitochondrial respiratory chain for the treatment and prophylaxis of malaria (Invitation to Speak, International Drug Discovery Science and Technology, Nanjing 2012) Chemoinformatics: Computational Compound Selection Fit for Purpose (Invitation to Speak, Dial-A-Molecule, University of Liverpool 2012) Molecular Modelling: Novel Small Molecule Inhibitors for Malaria (Invitation to Speak, Glaxo Smith Kline, Tres-Cantos, Madrid 2012) Enhancing Student Learning: Providing Recordings of Chemistry Teaching (Invitation to Speak, Anglia Ruskin University 2012) Fellow of the Higher Education Academy (Higher Education Academy 2012) A new generation quinolone antimalarial targeting the mitochondrial respiratory chain for the treatm (Invitation to Speak, International Drug Discovery Science and Technology, Nanjing, China 2012) Molecular Modelling: Novel Small Molecule Inhibitors for Malaria: MEP (Invitation to Speak, Washington University, St Louis, USA 2012) ChemTube3D: Web-Based Interactive 3D Simulations of Stereo- and Enantioselective Organic Reaction Mechanisms (Invitation to Speak, Variety in Chemical Education, University of York 2011) Enhancing Student Learning: Providing Recordings of Chemistry Teaching - a HEA project (Invitation to Speak, Learning and Teaching Conference, University of Liverpool 2011) Enhancing student learning: providing recordings of Chemistry reaching - a HEA project (Invitation to Speak, Association for Learning Technology (ALT), Lecture Capture - doing it well and at scale 2011) Molecular Modelling: Novel Small Molecule Inhibitors against Malaria: NDH2 (Invitation to Speak, BIT's 2nd Annual International Conference of Medichem, Beijing 2011) ChemTube3D: Web-Based Interactive 3D Simulations of Stereo- and Enantioselective Organic Reaction Mechanisms (Invitation to Speak, Higher Education Academy, Physical Sciences Centre, Department Representatives Meeting, Leeds 2011) A Novel Drug for Uncomplicated Malaria (Invitation to Speak, Fifth Joint Sheffield Conference on Cheminformatics 2010) Enhancing student learning using online resources (Invitation to Speak, Variety in Chemical Education, University of Loughborough 2010) Chemoinformatics Compound Identification for a Drug for Uncomplicated Malaria (Invitation to Speak, BIT's 1st Annual International Conference of Medichem, Beijing 2010) Co-ordination, Rationalisation, and Integration of AntiMAlarial Drug Discovery & Development (Invitation to Speak, CRIMALDDI 2010) Structure-Reactivity Relationships for Arylacetic Acid 1β-O-Acyl Glucuronides (Invitation to Speak, RSC Bioorganic organising comittee 2009) Molecular Modelling: Novel Small Molecule Insecticides (Invitation to Speak, Bayer CropScience, Monnheim 2009) e-Lectures within the Chemistry Department (Invitation to Speak, Organising committee 2009) Computational Chemistry: Drug Design and Reaction Modelling (Invitation to Speak, University of Liverpool 2007) Quantitative Structure Activity Relationships (Invitation to Speak, Romark Conference, Bern 2005) School of Physical Sciences, Post-graduate Research Lead Departmental Teaching and Learning Committee Departmental Research Committee Departmental Staff Student Liaison committee Coordinator of CHEM480 - MChem 4th Year Research Project (60 credits)

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Design and Synthesis of Irreversible Analogues of Bardoxolone Methyl for the Identification of Pharmacologically Relevant Targets and Interaction Sites Identification and optimisation of ligands to target protein-protein interactions: EB1-SxIP proteins Mechanistic Insight into the Superoxide Induced Ring Opening in Propylene Carbonate Based Electrolytes using in Situ Surface-Enhanced Infrared Spectroscopy Molecular Mechanism of Action of Antimalarial Benzoisothiazolones: Species-Selective Inhibitors of the Plasmodium spp. MEP Pathway enzyme, IspD Selective inhibitors of Cyclophilin D to treat Pancreatitis Small Molecule Inhibitors of Cyclophilin D To Protect Mitochondrial Function as a Potential Treatment for Acute Pancreatitis Will it gel? Successful computational prediction of peptide gelators using physicochemical properties and molecular fingerprints 2-Pyridylquinolone antimalarials with improved antimalarial activity and physicochemical properties Antimalarial 4(1H)-pyridones bind to the Q(i) site of cytochrome bc(1) Carbamoyl Triazoles, Known Serine Protease Inhibitors, Are a Potent New Class of Antimalarials Plasmodium IspD (2-C-Methyl-D-erythritol 4-Phosphate Cytidyltransferase), an Essential and Druggable Antimalarial Target Small Molecule Inhibitors of Cyclophilin D to Protect Mitochondrial Function as a Possible Treatment for Acute Pancreatitis Towards depersonalized abacavir therapy: chemical modification eliminates HLA-B*57:01-restricted CD8(+) T-cell activation 4-bromopropofol decreases action potential generation in spinal neurons by inducing a glycine receptor-mediated tonic conductance Abacavir Forms Novel Cross-Linking Abacavir Protein Adducts in Patients Guest-Adaptable and Water-Stable Peptide-Based Porous Materials by Imidazolate Side Chain Control Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding The synthesis and structure of chiral enamine N-oxides Antitubercular pharmacodynamics of phenothiazines Artemisinin-polypyrrole conjugates: synthesis, DNA binding studies and preliminary antiproliferative evaluation Cooperative Catalysis through Noncovalent Interactions Long-range metal–ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid X-ray Crystallography and Computational Docking for the Detection and Development of Protein-Ligand Interactions Chiral bicyclic [2.2.2] octadiene ligands for Rh-catalysed catalytic asymmetric conjugate additions to acyclic enones: a quantitative structure-property relationship Generation of quinolone antimalarials targeting the Plasmodium falciparum mitochondrial respiratory chain

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