Marc van der Kamp
University of Bristol
H-index: 32
Europe-United Kingdom
Top articles of Marc van der Kamp
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations | bioRxiv | Anna Jäckering Marc van der Kamp Birgit Strodel Kirill Zinovjev | 2024 |
QM/MM for Structure‐Based Drug Design: Techniques and Applications | Computational Drug Discovery: Methods and Applications | Marc W van der Kamp Jaida Begum | 2024/4/1 |
Delineation of the Complete Reaction Cycle of a Natural Diels-Alderase | bioRxiv | Laurence Maschio Catherine R Back Jawaher Alnawah James I Bowen Samuel T Johns | 2024 |
Cooperative Conformational Transitions Underpin the Activation Heat Capacity in the Temperature Dependence of Enzyme Catalysis | ACS catalysis | Emma J Walker Carlin J Hamill Rory Crean Michael S Connolly Annmaree K Warrender | 2024/3/8 |
emle-engine: a flexible electrostatic machine learning embedding package for multiscale molecular dynamics simulations | Kirill Zinovjev Lester Hedges Rubén Montagud Andreu Christopher Woods Iñaki Tuñón | 2024/2/27 | |
Dynamic Behavior and Substrate Interactions of the Polymyxin Resistance Determinant MCR-1 Investigated by Extended Molecular Dynamics Simulations in the Membrane Environment | Emily Lythell Reynier Suardíaz Philip Hinchliffe Sofia Oliveira Marc van der Kamp | 2024/4/25 | |
Epistasis arises from shifting the rate-limiting step during enzyme evolution of a β-lactamase | Nature Catalysis | Christopher Fröhlich H Adrian Bunzel Karol Buda Adrian J Mulholland Marc W Van der Kamp | 2024/2/23 |
Electric Fields Are a Key Determinant of Carbapenemase Activity in Class A β-Lactamases | ACS Catalysis | Hira Jabeen Michael Beer James Spencer Marc W van der Kamp H Adrian Bunzel | 2024/4/23 |
4‐Thiaproline accelerates the slow folding phase of proteins containing cis prolines in the native state by two orders of magnitude | Protein Science | Jennie O' Loughlin Kirill Zinovjev Silvia Napolitano Marc Van der Kamp Marina Rubini | 2024/2 |
Simulation-guided engineering enables a functional switch in selinadiene synthase towards hydroxylation | Prabhakar L Srivastava Sam Johns Angus Voice Katharine Morley Andres Escorcia Cabrera | 2024/4/5 | |
Interrogation of an enzyme library reveals the catalytic plasticity of naturally evolved [4+ 2] cyclases | ChemBioChem | Katja Zorn Catherine R Back Rob Barringer Veronika Chadimová Monserrat Manzo‐Ruiz | 2023/7/17 |
Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses | Journal of Experimental Medicine | Andrew Chancellor Robert Alan Simmons Rahul C Khanolkar Vladimir Nosi Aisha Beshirova | 2023/6/29 |
Synthetic cannabinoid receptor agonists are monoamine oxidase‐A selective inhibitors | The FEBS Journal | Sarah A Hindson Rachael C Andrews Michael J Danson Marc W Van der Kamp Amy E Manley | 2023/6 |
Active site loop engineering abolishes water capture in hydroxylating sesquiterpene synthases | ACS catalysis | Prabhakar L Srivastava Sam T Johns Rebecca Walters David J Miller Marc W Van der Kamp | 2023/10/20 |
Free energy along drug-protein binding pathways interactively sampled in virtual reality | Scientific Reports | Helen M Deeks Kirill Zinovjev Jonathan Barnoud Adrian J Mulholland Marc W Van der Kamp | 2023/10/4 |
The role of cytochrome P450 AbyV in the final stages of abyssomicin C biosynthesis | Angewandte Chemie International Edition | Andrew J Devine Alice E Parnell Catherine R Back Nicholas R Lees Samuel T Johns | 2023/1/16 |
Comment on:“Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme” | ACS Catalysis | Abbie Lear JL Ross Anderson Donald Hilvert Vickery L Arcus Marc W van der Kamp | 2023/7/28 |
Electric fields determine carbapenemase activity in class A β-lactamases | bioRxiv | Hira Jabeen Michael Beer James Spencer Marc W van der Kamp H Adrian Bunzel | 2023 |
Path to Actinorhodin: Regio-and Stereoselective Ketone Reduction by a Type II Polyketide Ketoreductase Revealed in Atomistic Detail | JACS Au | Stefano A Serapian John Crosby Matthew P Crump Marc W Van der Kamp | 2022/4/7 |
Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen | Nature Communications | Andrew Poole Vijaykumar Karuppiah Annabelle Hartt Jaafar N Haidar Sylvie Moureau | 2022/9/10 |
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