Responsibilities
- Own the end-to-end execution and monitoring of QEMI virtual screening and hit expansion campaigns across all active pre-programs
- Select and prepare appropriate protein structures based on target biology, binding site context, and program objectives
- Run and interpret screenability assessments, configure workflows, and coordinate screening execution with compute and engineering teams
- Apply compound filtering and selection workflows, ensuring compounds meet registration, traceability, and screenability standards
- Active contributor to pre-programs prioritization strategy by doing retrospectives of the screens, and identifying areas of improvement
- Troubleshoot underperforming runs and identify structural, methodological, or operational improvements to increase hit quality and workflow reliability
- Partner with engineering and platform teams to standardize, document, and progressively automate the run process as the platform evolves
- Maintain robust operational documentation and backup processes to ensure continuity and resilience across team changes and scaling needs
- Strong background in computational chemistry, cheminformatics, or computer-aided drug design (CADD)
- Experience with structure-based virtual screening workflows, docking, scoring, and hit triage
- Ability to independently assess protein structure quality and make scientific decisions on structure selection and screening strategy
- Strong working knowledge of Python and scientific scripting workflows, including troubleshooting and modifying existing pipelines
- Comfortable working in Linux environments and with command-line tools, configuration files, and automated workflows
- Familiarity with chemical data handling and compound registration workflows, including SMILES and RDKit
- Minimum 6 years of relevant experience in computational chemistry or related scientific fields
- Experience supporting early discovery or preclinical drug discovery programs in biotech or pharma
- Familiarity with protein folding methods and structure prediction workflows
- Understanding of medicinal chemistry concepts such as drug-likeness, developability, and ADMET
- Experience contributing operational insights into platform or product improvement roadmaps
- Prior experience scaling or standardising scientific workflows across multiple programs
Vacancy posted a month ago
Similar jobs that could be interesting for youBased on the Computational Chemist in London vacancy
- ...About the Role A high-achieving secondary school in Lambeth seeks a qualified and enthusiastic Computer Science Technician to join its dynamic department. This is a permanent, full-time position offering an exciting opportunity for a skilled individual to play a vital role...SuggestedPermanentFull-time
£35k - £42k per annum
Conduct qualitative and quantitative chemical analysis using advanced analytical techniques. Operate and maintain analytical instruments such as HPLC, GC-MS, LC-MS, ICP-MS and UV-Vis spectrometry. Develop and validate analytical methods according to regulatory and internal...SuggestedFull-time£14.15 per hour
...per hour ~ Opportunities for career development ~ Plus our Sodexo employee benefits package Student Analytical Development Chemist Currabinny, Cork - Full time - Fixed-Term Operational excellence begins with you. At Sodexo, we’re passionate about our...SuggestedHourly payFull-timeFixed-term contract£35k - £45k per annum
Senior Analytical Chemist (GC-MS) Industry Sector Profession Location Salary35000 - 45000 Description Job title: Senior Analytical Chemist (GC-MS) Contract type: Full-time, permanent Salary: £35000 - £45000 depending on experience Location: Bedford Start date: Asap...SuggestedPermanentFull-timeImmediate start- £44k - £57k per annumEstimated...required. Risk stratification Identification of cohorts of patients at high risk of harm from medicines through pre-prepared practice computer searches. This might include risks that are patient related, medicine related, or both Service development Contribute pharmaceutical...SuggestedLong-term contractFull-timeImmediate start
£30 - £35 per hour
...pre‑registration training Strong clinical pharmacy and medicines management knowledge Understanding of medicines governance Computer literate – ideally with experience using Cerner and EMIS Experience in clinical audit and/or pharmacy practice research Ability...Hourly payDaily payTemporaryLocumImmediate startMonday to Friday- £38k - £49k per annumEstimated...Sustainability It is the responsibility of all staff to minimise the environmental impact by recycling wherever possible, switching off lights, computers monitors and equipment when not in use, minimising water usage and reporting faults promptly. Smoking Policy The Bourne Health...Full-timeFlexible hoursShift workWeekend workAfternoon shift
- £56k - £72k per annumEstimated...patients are booked in for necessary monitoring tests where required. Risk stratification -Design, development and implementation of computer searches to identify cohorts of patients at high risk of harm from medicines. -Responsibility for management of risk stratification tools...Long-term contractFull-timeWork from home
- £29k - £40k per annumEstimated...clinical experiences including medical writing. Language skills: fluent English along with Native Spanish. Technology/Equipment: Computer proficiency in Microsoft Word, Excel, and other Window applications. The utilization of Medical Information Management Systems,...Full-timeOn-siteWork from homeMonday to FridayShift work
£50k - £65k per annum
...and know what it takes to get from question to robust, defensible data. Bonus Background in cognitive neuroscience, including computational or theoretical modelling of brain function Experience with non-invasive brain stimulation (TMS, tDCS, focused ultrasound, etc.)...Full-timeVisa sponsorshipOn-site- £37k - £49k per annumEstimated...develop alternative plans to ensure service continuity Proven proficiency in prescription checking Intermediate proficiency with computer-based systems (e.g. pharmacy systems, spreadsheets, email, databases) Excellent time management and organisational skills...PermanentFull-time
£52.85k - £61.47k per annum
Job Advert NHS Scotland is committed to encouraging equality and diversity among our workforce and eliminating unlawful discrimination. The aim is for our workforce to be truly representative and for each employee to feel respected and able to give their best. To this end...Long-term contractPermanentFlexible hours- £44k - £57k per annumEstimatedA Vacancy at South West London and St George's Mental Health NHS Trust. We are seeking an experienced, dedicated and hardworking Mental Health Pharmacist to join our Clinical Pharmacy Team, providing specialist services to the Acute and Urgent Care Service Line. This is an...Full-timeFlexible hours
£66.27k - £73.5k per annum
The full job description provides an overview of the key tasks and responsibilities of the role, and the person specification outlines the qualifications, skills, experience, and knowledgerequired. For both documents, please view the attachment/s below. We particularly welcome...Full-time- £45k - £58k per annumEstimatedThe surgery team has a fantastic new opportunity available for permanent senior specialist position. The postholder will provide specialist input into pain services, oversee clinical pharmacy services to the inpatient surgical wards as well as being responsible for clinical...PermanentFull-time
- £45k - £59k per annumEstimatedA fantastic opportunity has arisen for a pharmacist to join the medicine team at the Chelsea site of Chelsea and Westminster NHS Foundation Trust. We provide clinical pharmacy services to the Acute Assessment Unit, Ambulatory Care and Emergency departments, as well as a range...Full-timeFlexible hours
- £38k - £50k per annumEstimatedA Vacancy at The Royal Marsden NHS Foundation Trust. An exciting opportunity has arisen for an enthusiastic, highly motivated pharmacist to enhance their paediatric or oncology experience and join the Children and Young People’s (CYP) pharmacy team on the Sutton site at the...Full-timeMonday to FridayFlexible hours
- £47k - £62k per annumEstimatedAn exciting opportunity is available to be a part of the microbiology team to improve antimicrobial stewardship. Please see attached job description for more information about this role and working at Royal Free London NHS Foundation Trust. Working closely with the ...Flexible hours
£23 - £25 per hour
Job Title : Locum Biochemistry Biomedical Scientist Banding: Band 6 Locat io n: L ondon , Greater London Start date: ASAP Duration: Ongoing Rate : £23– £25 per hour Working hours: Monday – Friday An exciting opportunity has arisen for a Band 6 Biomedical...Hourly payTemporaryLocumImmediate startMonday to Friday- ...identifying pharmaceutical names. Native or near-native proficiency in English. Strong writing, editing, and communication skills. Computer literacy. Preferred (but not mandatory): Experience with one or more of the following: computational linguistics, corpus...
- £42k - £56k per annumEstimatedEmployer Day Webster Location Bexley, England Salary Competitive Closing date 28 Jun 2026 View more categoriesView less categories Pharmacy sector Community Job Type Pharmacist Apply on website You need to sign in or create an account to save a job. Send job
- £62k - £81k per annumEstimated...experience Knowledge of Good Clinical Practice/ICH Guidelines and other applicable regulatory requirements Must demonstrate good computer skills and be able to embrace new technologies Excellent communication, presentation and interpersonal skills Ability to manage...Ongoing contractInterimImmediate startRemote
- £28k - £37k per annumEstimated...collating, stapling or filing materials. Carrying out word processing of documents, using spreadsheets and assisting with setting up computers and data-logging equipment for lessons. Occasionally purchasing small items locally that may be required in lessons. Assisting...PermanentFull-timeTerm-timeOn-siteFlexible hoursAfternoon shift
£30 per hour
Work as part of a multi-disciplinary team in a patient facing role to clinically assess and treat patients using their expert knowledge Work remotely - *This could change depending upon services. Uphold a prescribing qualification , and will work with and alongside the multi...Full-timeRemote- £41k - £53k per annumEstimatedLocation: London Department: Alternaleaf Your patients have usually tried everything else. By the time they reach Montu UK, most have been through years of treatment that has not worked. You will be prescribing cannabis-based medicines to people for whom this is often...Full-timeHybrid workingWork from home
- About the role We are recruiting a Clinical Pharmacist (Independent Prescriber) to join our London team. This is a role where you will work 2-3 days (including the evenings and weekends) in our London office located in Kings Cross. You will play a key part in prescribing...Part-timeOn-siteRemoteWeekend workAfternoon shift
£51k per annum
Overview Clinical Pharmacist Chelsfield Park Hospital 21 Hours & Permanent Salary: Up to £51,000.00 FTE per year (depending on level of experience, training and qualification) Chelsfield Park Hospital in Kent is part of Circle Health Group, Britain's leading provider...PermanentPart-timeFlexible hoursShift work£35 per hour
JOB-20240830-fed11a3d Job Title: Locum Clinical Pharmacist within Surgical/Medical Team Job Location: Kensington, UK Salary: £35 Hourly Type: Full Time Duration: Ongoing We are thrilled to present a fantastic opportunity for an experienced Clinical Pharmacist to ...Hourly payOngoing contractFull-timeLocum- £50k - £65k per annumEstimatedA Vacancy at University College London Hospitals NHS Foundation Trust. An exciting opportunity has arisen for a motivated and enthusiastic clinical pharmacist to join our Pharmacy team at the National Hospital for Neurology and Neurosurgery to cover maternity leave of the...Full-timeFlexible hours
- £41k - £54k per annumEstimatedEmployer Epsom and St Helier University Hospitals Location St. Helier, England Salary Competitive Closing date 13 Jul 2026 View more categoriesView less categories Job Type Pharmacist Apply on website You need to sign in or create an account to save a job. Send ...
Do you want to receive more vacancies?
Subscribe and receive similar vacancies to Computational Chemist. Be the first to apply!
